CHEMBL2070247


SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)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 QBPUPEUBMHTUDK-QGCUPYRHSA-N

Chemical properties

Hydrogen bond acceptors 26
Hydrogen bond donors 24
Rotatable bonds 56
Molecular weight (Da) 1919.1

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 5.92 5.92 5.92 ChEMBL
MC5 MC5R Human Melanocortin A pKi 7.82 7.82 7.82 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.17 7.17 7.17 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 6.77 6.77 6.77 ChEMBL