CHEMBL2070248


SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=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 BINHUIMAVHQSOM-QPGYUNECSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 18
Rotatable bonds 39
Molecular weight (Da) 1494.9

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 6.89 6.89 6.89 ChEMBL
MC5 MC5R Human Melanocortin A pKi 8.52 8.52 8.52 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.1 8.1 8.1 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.48 9.48 9.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 9.0 9.0 9.0 ChEMBL