CHEMBL3629347


SMILES CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)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]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
InChIKey UAHFGYDRQSXQEB-DZZRGNEZSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 23
Rotatable bonds 50
Molecular weight (Da) 1645.8

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 9.57 9.66 9.74 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 10.4 10.56 10.72 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 9.64 9.65 9.66 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 9.33 9.4 9.47 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 9.8 9.8 9.8 ChEMBL