CHEMBL2070243


SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChIKey XTFWFFODDNNYFQ-OCUCUBOXSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 22
Rotatable bonds 46
Molecular weight (Da) 1706.0

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 8.1 8.1 8.1 ChEMBL
MC5 MC5R Human Melanocortin A pKi 8.8 8.8 8.8 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.6 8.6 8.6 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.92 9.92 9.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 9.77 9.77 9.77 ChEMBL