CHEMBL375775


SMILES N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1
InChIKey XJNKMZCGJSOFTK-KMKAFXEASA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 661.3

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 5.79 5.79 5.79 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.36 5.36 5.36 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.39 6.39 6.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.27 6.27 6.27 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.08 6.08 6.08 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.01 7.01 7.01 ChEMBL