CHEMBL4060381


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C)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)N[C@@H](CS)C(N)=O
InChIKey RQZHKEFEFWSLOK-PHNIDTBTSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 19
Rotatable bonds 32
Molecular weight (Da) 1118.5

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 8.51 8.51 8.51 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.81 7.81 7.81 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.58 9.58 9.58 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.72 5.72 5.72 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.16 9.16 9.16 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.78 8.78 8.78 ChEMBL