CHEMBL437050


SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChIKey GZWUQPQBOGLSIM-VOOUCTBASA-N
Sequence YVMGHFRWDRFG

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 21
Rotatable bonds 47
Molecular weight (Da) 1569.7

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pKi 5.68 5.68 5.68 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.16 6.16 6.16 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pIC50 6.0 6.97 8.92 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 6.52 6.73 7.16 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 6.26 6.3 6.41 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.6 5.85 6.48 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.16 7.05 8.43 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 7.14 7.21 7.4 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.58 6.51 7.19 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 6.11 6.42 7.35 ChEMBL