CHEMBL5087859


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChIKey PVVLKBSYHAGXBD-PFHMOJLXSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 24
Rotatable bonds 27
Molecular weight (Da) 1966.0

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 10.16 10.16 10.16 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.29 7.29 7.29 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pIC50 6.78 6.78 6.78 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.91 8.91 8.91 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.58 8.29 9.01 ChEMBL