CHEMBL415165


SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C
InChIKey BUVGQEXSQXRZQG-LBQSHGEUSA-N

Chemical properties

Hydrogen bond acceptors 28
Hydrogen bond donors 27
Rotatable bonds 60
Molecular weight (Da) 2005.9

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Rat Melanocortin A pKi 10.05 10.05 10.05 ChEMBL
MC1 MSHR Human Melanocortin A pKi 10.0 10.0 10.0 ChEMBL
MC5 MC5R Human Melanocortin A pKi 9.77 9.77 9.77 ChEMBL
MC3 MC3R Human Melanocortin A pKi 9.64 9.64 9.64 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.51 9.51 9.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 9.44 9.58 9.72 ChEMBL