CHEMBL2070246


SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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 SNEMRJZDOOLWPZ-LNIOHWKMSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 23
Rotatable bonds 51
Molecular weight (Da) 1855.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 6.64 6.64 6.64 ChEMBL
MC5 MC5R Human Melanocortin A pKi 8.92 8.92 8.92 ChEMBL
MC3 MC3R Human Melanocortin A pKi 8.09 8.09 8.09 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.96 9.96 9.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 9.82 9.82 9.82 ChEMBL