CHEMBL2070245


SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)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 UBKGFMZTCLCOLM-AVUNRILVSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 24
Rotatable bonds 49
Molecular weight (Da) 1739.0

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 8.49 8.49 8.49 ChEMBL
MC5 MC5R Human Melanocortin A pKi 9.33 9.33 9.33 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.7 8.7 8.7 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.43 9.43 9.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 10.4 10.4 10.4 ChEMBL