Detailed information for compound 1631525

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 506.425 | Formula: C24H19F5N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(c2c1nc(cc2)C(F)(F)F)c1oc(c(n1)C(=O)NCc1ccc(cc1F)F)[C@@H](N)C
  • InChi: 1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
  • InChiKey: CIPPBSIONMAVDW-NSHDSACASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4B, cAMP-specific Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL References
Homo sapiens phosphodiesterase 11A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania donovani cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein phosphodiesterase 11A 489 aa 471 aa 34.4 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0151 0.0179 0.0948
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0575 0.202 0.1981
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0458 0.1511 0.1969
Loa Loa (eye worm) hypothetical protein 0.0139 0.0128 0.0145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0355 0.1067 0.1864
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0218 0.0469 0.0423
Toxoplasma gondii target of rapamycin (TOR), putative 0.0437 0.1422 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0139 0.0128 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0575 0.202 0.3755
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1757 0.7153 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.0945 0.1621
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.0945 0.1621
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1757 0.7153 1
Giardia lamblia GTOR 0.0575 0.202 0.8661
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0575 0.202 0.2693
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0458 0.1511 0.2746
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0469 0.0677
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0199 0.039 0.0343
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Schistosoma mansoni fkbp-rapamycin associated protein 0.0139 0.0128 0.008
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0903 0.3446 0.6586
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0458 0.1511 0.2746
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0575 0.202 0.2693
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0139 0.0128 0.008
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1114 0.436 0.6024
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0218 0.0469 0.0486
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.1757 0.7153 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0199 0.039 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0469 0.0677
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0575 0.202 0.1981
Loa Loa (eye worm) hypothetical protein 0.0854 0.3231 0.3639
Trichomonas vaginalis PIKK family atypical protein kinase 0.0355 0.1067 0.1864
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0469 0.0486
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0174 0.0279 0.0231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0199 0.039 0.0343
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0199 0.039 0.0373
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0458 0.1511 0.1969
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0139 0.0128 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0469 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0575 0.202 0.3755
Echinococcus granulosus serine protein kinase ATM 0.0139 0.0128 0.008
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0458 0.1511 0.2746
Trichomonas vaginalis PIKK family atypical protein kinase 0.0327 0.0945 0.1621
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0199 0.039 0.0373
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1299 0.5165 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0328 0.0947 0.1625
Echinococcus granulosus lysosomal protective protein 0.1757 0.7153 0.7139
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0903 0.3446 0.6586
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0218 0.0469 0.0486
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.1542 0.2808
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.033 0.0959 0.4
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.1757 0.7153 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.1081 0.1891
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Trichomonas vaginalis PIKK family atypical protein kinase 0.0398 0.1252 0.2231
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0218 0.0469 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0328 0.0947 0.1625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0575 0.202 0.3755
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0199 0.039 0.052
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1757 0.7153 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0199 0.039 0.0343
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0469 0.0677
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0199 0.039 0.0343
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1757 0.7153 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0218 0.0469 0.0486
Echinococcus multilocularis serine protein kinase ATM 0.0139 0.0128 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1299 0.5165 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0386 0.1198 0.135
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0575 0.202 0.2693
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0645 0.2324 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0218 0.0469 0.0423
Loa Loa (eye worm) hypothetical protein 0.0151 0.0179 0.0201
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0199 0.039 0.052
Toxoplasma gondii FATC domain-containing protein 0.0139 0.0128 0.0581
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0199 0.039 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Loa Loa (eye worm) phosphatidylinositol 3 0.0575 0.202 0.2275
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1584 0.6399 0.6381
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.1081 0.1891
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.1757 0.7153 0.7139
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.1757 0.7153 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1227 0.4852 0.9378
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0199 0.039 0.052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0328 0.0947 0.1625
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1299 0.5165 0.717
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0575 0.202 0.2693
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0199 0.039 0.0373
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0218 0.0469 0.0486
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0218 0.0469 0.0423
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0465 0.1544 0.1707
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.1757 0.7153 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2413 1 1
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.1757 0.7153 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.1757 0.7153 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0261 0.0656 0.0751
Loa Loa (eye worm) hypothetical protein 0.1757 0.7153 0.8056
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0199 0.039 0.052
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0199 0.039 0.052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.1542 0.2808
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0292 0.079 0.0942
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0386 0.1198 0.1523
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0575 0.202 0.241
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.1757 0.7153 0.7139
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0854 0.3231 0.4417
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0575 0.202 0.3755
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1299 0.5165 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.1081 0.1891
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0854 0.3231 0.3198
Loa Loa (eye worm) phosphatidylinositol 3 0.2155 0.8879 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0386 0.1201 0.2131
Entamoeba histolytica hypothetical protein 0.1041 0.4044 0.7774
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.1542 0.2808
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Loa Loa (eye worm) phosphatidylinositol 3 0.0218 0.0469 0.0529
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1041 0.4044 0.7774
Leishmania major phosphatidylinositol 3-kinase, putative 0.0218 0.0469 0.0117
Loa Loa (eye worm) hypothetical protein 0.0446 0.1459 0.1643
Trichomonas vaginalis PIKK family atypical protein kinase 0.0328 0.0947 0.1625
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0575 0.202 0.2693
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0199 0.039 0.0343
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0199 0.039 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0437 0.1422 0.2569
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0458 0.1511 0.1969
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0854 0.3231 0.3198
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0199 0.039 0.044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0469 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.0313 0.0367
Echinococcus multilocularis lysosomal protective protein 0.1757 0.7153 0.7139
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0199 0.039 0.2488
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0199 0.039 0.2488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0496 0.1679 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.1542 0.2808
Trypanosoma cruzi target of rapamycin kinase 3 0.0465 0.1544 0.2016
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0458 0.1511 0.2746
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0199 0.039 0.0343
Loa Loa (eye worm) hypothetical protein 0.0121 0.0049 0.0055
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1584 0.6399 0.6381
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0575 0.202 0.3755
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0575 0.202 0.1981
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1299 0.5165 0.717
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0458 0.1511 0.2746
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0465 0.1544 0.2016
Trichomonas vaginalis conserved hypothetical protein 0.0151 0.0179 0.01
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1299 0.5165 0.717
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0575 0.202 0.241
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1299 0.5165 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0458 0.1511 0.147
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0595 0.2109 0.3934
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2413 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.1542 0.2808

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.06 nM Inhibition of PDE4B ChEMBL. 22401864
IC50 (binding) = 2300 nM Inhibition of PDE11 ChEMBL. 22401864
IC50 (ADMET) > 8 uM Inhibition of CYP3A4 ChEMBL. 22401864
IC50 (ADMET) > 8 uM Inhibition of CYP2D6 ChEMBL. 22401864
IC50 (ADMET) > 8 uM Inhibition of CYP2C9 ChEMBL. 22401864
IC50 (ADMET) > 8 uM Inhibition of CYP2C19 ChEMBL. 22401864

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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