CHEMBL403806


SMILES Cc1ccc(N2CCN(C(=O)[C@H]3CN(C4CCOCC4)C[C@@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1
InChIKey XJIWJTAALOWWFJ-RASJINCSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 637.4

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
MC1 MSHR Human Melanocortin A pKi 6.92 6.92 6.92 ChEMBL
MC5 MC5R Human Melanocortin A pKi 6.28 6.28 6.28 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.89 5.89 5.89 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.33 8.33 8.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pIC50 7.19 7.19 7.19 ChEMBL