CHEMBL5185405


SMILES CCCC[C@@H]1NC(=O)[C@@H]2CSC3=C(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(=O)NC3=O
InChIKey KXWAHHUIDLURNT-KHKKPXNASA-N

Chemical properties

Hydrogen bond acceptors 26
Hydrogen bond donors 33
Rotatable bonds 33
Molecular weight (Da) 2149.0

Drug properties

Molecular type Small molecule
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 8.44 8.44 8.44 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.55 7.55 7.55 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.54 9.54 9.54 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 7.2 7.2 7.2 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.4 9.4 9.4 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.3 8.3 8.3 ChEMBL