Detailed information for compound 428282

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 630.62 | Formula: C29H29F7N4O2S
  • H donors: 2 H acceptors: 3 LogP: 5.74 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)Nc1scc(n1)C(C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCN1CCC(CC1)c1ccc(cc1)F
  • InChi: 1S/C29H29F7N4O2S/c1-17(41)38-27-39-25(16-43-27)24(8-11-40-9-6-20(7-10-40)19-2-4-23(30)5-3-19)26(42)37-15-18-12-21(28(31,32)33)14-22(13-18)29(34,35)36/h2-5,12-14,16,20,24H,6-11,15H2,1H3,(H,37,42)(H,38,39,41)
  • InChiKey: UVMPPZPPJNYDBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0029 0.0064 0.0064
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0029 0.0064 0.0064
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0687 0.3842 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0255 0.1361 0.1331
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0029 0.0064 0.0064
Brugia malayi Cytochrome P450 family protein 0.0038 0.0116 0.0082
Schistosoma mansoni hypothetical protein 0.0029 0.0064 0.0002
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.176 1 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0029 0.0064 0.0064
Brugia malayi Cytochrome P450 family protein 0.0038 0.0116 0.0082
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0162 0.1233
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0106 0.0234
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0106 0.0106
Mycobacterium ulcerans lipase LipD 0.0036 0.0106 0.0106
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0035 0.0035
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.176 1 1
Echinococcus granulosus cytochrome P450 2K1 0.0029 0.0064 0.0005
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Loa Loa (eye worm) cytochrome P450 0.0029 0.0064 0.0487
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0255 0.1361 0.3436
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0687 0.3842 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.176 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0035 0.0035
Mycobacterium leprae Probable lipase LipE 0.0036 0.0106 0.009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0029 0.0064 0.0064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0162 0.0221
Onchocerca volvulus 0.0036 0.0106 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0038 0.0116 0.0116
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0106 0.0106
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0064 0.0002
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0106 0.009
Mycobacterium tuberculosis Conserved protein 0.0036 0.0106 0.0106
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0106 0.0106
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0029 0.0064 0.0064
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Conserved protein 0.0036 0.0106 0.0106
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0106 0.0106
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.176 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0687 0.3842 0.8346
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0687 0.3842 0.8346
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0029 0.0064 0.0064
Plasmodium falciparum GAF domain-related protein, putative 0.0021 0.0016 0.0016
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0687 0.3842 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0029 0.0064 0.0064
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.176 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0106 0.0096
Loa Loa (eye worm) hypothetical protein 0.0024 0.0035 0.0264
Onchocerca volvulus 0.0036 0.0106 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0162 0.0101
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0035 0.0035
Brugia malayi Cytochrome P450 family protein 0.0126 0.0621 0.0589
Brugia malayi Cytochrome P450 family protein 0.0029 0.0064 0.003
Schistosoma mansoni dihydroorotate dehydrogenase 0.176 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0029 0.0064 0.0064
Brugia malayi beta-lactamase family protein 0.0036 0.0106 0.0071
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0021 0.0016 0.0016
Mycobacterium ulcerans beta-lactamase 0.0036 0.0106 0.0106
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.0724 0.0709
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0029 0.0064 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0106 0.0044
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0687 0.3842 1
Plasmodium vivax hypothetical protein, conserved 0.0021 0.0016 0.0016
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.176 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0106 0.0044
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0029 0.0064 0.0064
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0687 0.3842 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Brugia malayi beta-lactamase 0.0036 0.0106 0.0071
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0029 0.0064 0.0064
Mycobacterium ulcerans putative regulatory protein 0.0021 0.0016 0.0016
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.1589 0.5
Leishmania major cytochrome p450-like protein 0.0029 0.0064 0.003
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0029 0.0064 0.0064
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.1589 0.4083
Schistosoma mansoni cytochrome P450 0.0029 0.0064 0.0002
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0035 0.0035
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0029 0.0064 0.0064
Mycobacterium ulcerans hypothetical protein 0.0036 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0029 0.0064 0.0064
Brugia malayi beta-lactamase family protein 0.0036 0.0106 0.0071
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0038 0.0116 0.0054
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0106 0.0234
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0116 0.0884
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0029 0.0064 0.0064
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0106 0.0234
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0687 0.3842 0.3804
Loa Loa (eye worm) beta-lactamase 0.0036 0.0106 0.0805
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0035 0.0018
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0106 0.0805
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0029 0.0064 0.0064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Leishmania major hypothetical protein, conserved 0.0036 0.0106 0.0071
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0029 0.0064 0.0064
Plasmodium falciparum dihydroorotate dehydrogenase 0.176 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Toxoplasma gondii cytochrome p450 superfamily protein 0.0029 0.0064 0.0048
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0473
Brugia malayi Zinc finger, C2H2 type family protein 0.0687 0.3842 0.3821
Toxoplasma gondii ABC1 family protein 0.0036 0.0106 0.009
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Leishmania major dihydroorotate dehydrogenase 0.176 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0106 0.0106
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0162 0.0221
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.1589 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0035 0.0035
Trypanosoma brucei cytochrome P450, putative 0.0038 0.0116 0.0054
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0021 0.0016 0.0016
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0687 0.3842 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0687 0.3842 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0029 0.0064 0.0002
Loa Loa (eye worm) hypothetical protein 0.0226 0.1196 0.9096
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0106 0.0115
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0035 0.0018
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0035 0.0035
Mycobacterium ulcerans putative regulatory protein 0.0021 0.0016 0.0016
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0162 0.0128
Mycobacterium leprae putative cytochrome p450 0.0029 0.0064 0.0048
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0106 0.0106
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0818 0.4591 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0029 0.0064 0.003
Echinococcus multilocularis 0.0029 0.0064 0.0004
Trypanosoma cruzi cytochrome P450, putative 0.0038 0.0116 0.0054
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0029 0.0064 0.0064
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.0724 0.0724
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0029 0.0064 0.0064
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0805
Mycobacterium tuberculosis Conserved protein 0.0036 0.0106 0.0106
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0062 0.012
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0064 0.0002
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0687 0.3842 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.176 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0687 0.3842 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0162 0.0264
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.0724 0.0724
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0805
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Loa Loa (eye worm) hypothetical protein 0.0024 0.0035 0.0264
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0162 0.0264
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.176 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0805
Mycobacterium ulcerans hypothetical protein 0.0024 0.0035 0.0035
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0029 0.0064 0.0002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.1589 0.4111
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0106 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0162 0.0101
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0029 0.0064 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0162 0.0101
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0029 0.0062 0.0028
Trichomonas vaginalis esterase, putative 0.0036 0.0106 0.0234
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0106 0.0044
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0029 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0024 0.0035 0.0264
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0106 0.0071
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0029 0.0064 0.0064
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0029 0.0064 0.0064
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0106 0.0044
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0035 0.0035
Leishmania major cytochrome p450-like protein 0.0038 0.0116 0.0082
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0029 0.0064 0.0064
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0106 0.0106
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0029 0.0062 0.012
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0106 0.0044
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0029 0.0062 0.012
Loa Loa (eye worm) cytochrome P450 family protein 0.0126 0.0621 0.4724
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.176 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0805
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.1589 0.4083
Mycobacterium leprae Conserved hypothetical protein 0.0029 0.0064 0.0048
Brugia malayi cytochrome P450 0.0029 0.0064 0.003
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0029 0.0064 0.0064
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0029 0.0062 0.012
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0029 0.0064 0.0064
Leishmania major cytochrome p450-like protein 0.0029 0.0064 0.003
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0106 0.0234
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0116 0.0884
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0021 0.0016 0.0016
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0255 0.1361 0.2868
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0106 0.0234
Onchocerca volvulus 0.0036 0.0106 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0805
Loa Loa (eye worm) hypothetical protein 0.0247 0.1315 1
Loa Loa (eye worm) CYP4Cod1 0.0038 0.0116 0.0884
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0035 0.0035
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.176 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.1229 0.1229
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0035 0.0035
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.176 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0106 0.0805

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.8 nM Displacement of [125I]MCP1 from human CCR2 expressed in monocytes ChEMBL. 17092717
IC50 (binding) = 1.8 nM Displacement of [125I]MCP1 from human CCR2 expressed in monocytes ChEMBL. 17092717

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.