Detailed information for compound 931840

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 623.18 | Formula: C33H36ClFN4O3S
  • H donors: 2 H acceptors: 2 LogP: 5.8 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)N1N=C(Sc2ccc(cc2)Cl)CC(C1=O)CC[C@H](NC(=O)[C@H]1CCNC[C@@H]1c1ccc(cc1)F)C
  • InChi: 1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1
  • InChiKey: HQLXQTOXHLBXLG-XUHOWKTBSA-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 melanocortin 5 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Starlite/ChEMBL References
Homo sapiens melanocortin 3 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium berghei tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi Tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium parvum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-4 chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-1 tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin alpha chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-2A chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-7 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Theileria parva tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium yoelii tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Babesia bovis tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium falciparum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi beta-tubulin, identical Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-4 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin gamma chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin, beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma cruzi beta tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma congolense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein melanocortin 5 receptor 325 aa 311 aa 20.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0445 0.0226 0.0506
Echinococcus multilocularis voltage dependent calcium channel subunit 0.5089 0.4451 0.4445
Trypanosoma brucei C-8 sterol isomerase, putative 0.0383 0.017 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1588 0.1267 0.1257
Loa Loa (eye worm) hypothetical protein 0.0506 0.0282 0.128
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0394 0.018 0.0398
Onchocerca volvulus 0.0445 0.0226 0.0982
Echinococcus multilocularis Glycosyl transferase, family 35 0.1364 0.1063 0.1053
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0445 0.0226 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0445 0.0226 0.0216
Brugia malayi hypothetical protein 0.0445 0.0226 0.0982
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0445 0.0226 0.0982
Echinococcus multilocularis glycogen phosphorylase 0.1364 0.1063 0.1053
Loa Loa (eye worm) norepinephrine transporter 0.2619 0.2204 1
Brugia malayi Trypsin family protein 0.0506 0.0282 0.1235
Echinococcus granulosus voltage dependent calcium channel 0.0394 0.018 0.0169
Loa Loa (eye worm) hypothetical protein 0.2619 0.2204 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Plasmodium vivax amine transporter, putative 0.0445 0.0226 1
Onchocerca volvulus 0.0506 0.0282 0.1235
Loa Loa (eye worm) hypothetical protein 0.0394 0.018 0.0819
Loa Loa (eye worm) calcium channel 0.0394 0.018 0.0819
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0445 0.0226 0.0982
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0445 0.0226 0.0506
Schistosoma mansoni sodium/chloride dependent transporter 0.2619 0.2204 0.5158
Entamoeba histolytica glycogen phosphorylase, putative 0.059 0.0359 0.3303
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0445 0.0226 0.0506
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0445 0.0226 0.0506
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.059 0.0359 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Onchocerca volvulus 0.2619 0.2204 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0445 0.0226 0.1027
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0445 0.0226 0.0216
Schistosoma mansoni dihydrofolate reductase 0.0426 0.021 0.0467
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2619 0.2204 0.5158
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0394 0.018 0.0169
Echinococcus granulosus dihydrofolate reductase 0.0426 0.021 0.0199
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Schistosoma mansoni sodium/chloride dependent transporter 0.0445 0.0226 0.0506
Loa Loa (eye worm) hypothetical protein 0.0383 0.017 0.0772
Loa Loa (eye worm) dihydrofolate reductase 0.0426 0.021 0.0951
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0394 0.018 0.0169
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0394 0.018 0.0169
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0311 0.0105 0.4349
Plasmodium vivax hypothetical protein, conserved 0.0445 0.0226 1
Schistosoma mansoni voltage-gated cation channel 0.0394 0.018 0.0398
Schistosoma mansoni sodium-dependent amino acid transporter 0.0445 0.0226 0.0506
Schistosoma mansoni serine-rich repeat protein 0.2629 0.2213 0.5179
Chlamydia trachomatis glycogen phosphorylase 0.1364 0.1063 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0445 0.0226 0.0982
Echinococcus granulosus serotonin transporter 0.2619 0.2204 0.2195
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Echinococcus multilocularis sodium and chloride dependent glycine 0.0445 0.0226 0.0216
Brugia malayi carbohydrate phosphorylase 0.1364 0.1063 0.4797
Echinococcus granulosus voltage dependent calcium channel subunit 0.5089 0.4451 0.4445
Loa Loa (eye worm) hypothetical protein 0.0506 0.0282 0.128
Loa Loa (eye worm) glycogen phosphorylase 0.1364 0.1063 0.4823
Loa Loa (eye worm) CUTiclin family member 0.0208 0.0011 0.0051
Plasmodium falciparum amino acid transporter, putative 0.0445 0.0226 1
Entamoeba histolytica glycogenphosphorylase, putative 0.059 0.0359 0.3303
Schistosoma mansoni glycogen phosphorylase 0.1364 0.1063 0.2474
Brugia malayi Sodium:neurotransmitter symporter family protein 0.2619 0.2204 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0445 0.0226 0.0216
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0445 0.0226 0.0506
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0445 0.0226 0.0216
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0394 0.018 0.0169
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0445 0.0226 0.0506
Echinococcus multilocularis voltage dependent calcium channel 0.0394 0.018 0.0169
Toxoplasma gondii hypothetical protein 0.0445 0.0226 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Trichomonas vaginalis glycogen phosphorylase, putative 0.1364 0.1063 1
Plasmodium falciparum transporter, putative 0.0445 0.0226 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0445 0.0226 0.0216
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0383 0.017 0.0725
Schistosoma mansoni hypothetical protein 0.2629 0.2213 0.5179
Schistosoma mansoni glycogen phosphorylase 0.059 0.0359 0.0817
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.4882 0.4262 1
Echinococcus multilocularis voltage dependent calcium channel subunit 1.119 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0506 0.0282 0.0637
Loa Loa (eye worm) hypothetical protein 0.2619 0.2204 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0394 0.018 0.0169
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0311 0.0105 0.4349
Onchocerca volvulus 0.0375 0.0163 0.0693
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0445 0.0226 0.0506
Leishmania major C-8 sterol isomerase-like protein 0.0383 0.017 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0394 0.018 0.0169
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0208 0.0011 0.0051
Onchocerca volvulus 0.0445 0.0226 0.0982
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0394 0.018 0.0169
Schistosoma mansoni glycogen phosphorylase 0.1364 0.1063 0.2474
Echinococcus granulosus tm gpcr rhodopsin 0.1588 0.1267 0.1257
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0311 0.0105 0.4349
Brugia malayi dihydrofolate reductase family protein 0.0426 0.021 0.0905
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0426 0.021 0.5
Echinococcus multilocularis voltage dependent calcium channel 0.0394 0.018 0.0169
Brugia malayi Cache domain containing protein 0.2253 0.1871 0.8484
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0445 0.0226 0.0197
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Brugia malayi Dihydrofolate reductase 0.0426 0.021 0.0905
Echinococcus multilocularis glycogen phosphorylase 0.1364 0.1063 0.1053
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0383 0.017 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0445 0.0226 0.0216
Schistosoma mansoni sodium/chloride dependent transporter 0.0445 0.0226 0.0506
Treponema pallidum sodium- and chloride- dependent transporter 0.2619 0.2204 1
Entamoeba histolytica glycogen phosphorylase, putative 0.1364 0.1063 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.1364 0.1063 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Toxoplasma gondii hypothetical protein 0.0445 0.0226 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.059 0.0359 1
Loa Loa (eye worm) serotonin transporter b 0.2619 0.2204 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0394 0.018 0.0772
Loa Loa (eye worm) hypothetical protein 0.2619 0.2204 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0445 0.0226 0.0506
Echinococcus granulosus sodium and chloride dependent glycine 0.0445 0.0226 0.0216
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0208 0.0011 0.0051
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Loa Loa (eye worm) hypothetical protein 0.2253 0.1871 0.8492
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Echinococcus granulosus glycogen phosphorylase 0.1364 0.1063 0.1053
Echinococcus granulosus glycogen phosphorylase 0.1364 0.1063 0.1053
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0445 0.0226 0.1027
Echinococcus multilocularis sodium and chloride dependent glycine 0.0445 0.0226 0.0216
Giardia lamblia Glycogen phosphorylase 0.1364 0.1063 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0445 0.0226 0.0982
Onchocerca volvulus Glycogen phosphorylase homolog 0.1364 0.1063 0.4797
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Entamoeba histolytica glycogen phosphorylase, putative 0.059 0.0359 0.3303
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0445 0.0226 0.0216
Echinococcus multilocularis serotonin transporter 0.2619 0.2204 0.2195
Loa Loa (eye worm) solute carrier family 6 member 4 0.2619 0.2204 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0445 0.0226 1
Onchocerca volvulus 0.0445 0.0226 0.0982
Loa Loa (eye worm) CUTiclin-Like family member 0.0208 0.0011 0.0051
Echinococcus granulosus sodium and chloride dependent glycine 0.0445 0.0226 0.0216
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0506 0.0282 0.0637
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0445 0.0226 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.2461 0.206 0.4821
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051
Echinococcus multilocularis dihydrofolate reductase 0.0426 0.021 0.0199
Echinococcus granulosus Glycosyl transferase family 35 0.1364 0.1063 0.1053
Loa Loa (eye worm) hypothetical protein 0.0445 0.0226 0.1027
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0394 0.018 0.0398
Entamoeba histolytica glycogen phosphorylase, putative 0.1364 0.1063 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0011 0.0051

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 30 nM Effective concentration at human melanocortin 4 receptor in cAMP release assay ChEMBL. 16005624
EC50 (functional) = 220 nM Effective concentration against human melanocortin 1 receptor in cAMP release assay ChEMBL. 16005624
EC50 (functional) = 480 nM Effective concentration at human melanocortin 4 receptor in cAMP release assay ChEMBL. 16005624
EC50 (functional) = 1100 nM Effective concentration against human melanocortin 3 receptor in cAMP release assay ChEMBL. 16005624
IC50 (binding) = 22 nM Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor ChEMBL. 16005624
IC50 (binding) = 22 nM Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells ChEMBL. 16005624
IC50 (binding) = 540 nM Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells ChEMBL. 16005624
IC50 (binding) = 1100 nM Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 1 receptor ChEMBL. 16005624
IC50 (binding) = 3100 nM Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor ChEMBL. 16005624
IC50 (binding) = 4700 nM Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor ChEMBL. 16005624
Max (functional) = 7 % Maximum percentage of cAMP accumulation compared to alpha-MSH at human melanocortin 5 receptor at 10 uM ChEMBL. 16005624
Max (functional) = 21 % Maximum percentage of cAMP accumulation compared to alpha-MSH at human melanocortin 3 receptor ChEMBL. 16005624
Max (functional) = 33 % Maximum percentage of cAMP accumulation compared to alpha-MSH at human melanocortin 1 receptor ChEMBL. 16005624
Max (functional) = 98 % Maximum percentage of cAMP accumulation relative to alpha-MSH at human melanocortin 4 receptor at 10 uM ChEMBL. 16005624
Max (functional) = 100 % Maximum percentage of cAMP accumulation relative to alpha-MSH at human melanocortin 4 receptor at 10 uM ChEMBL. 16005624

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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