CHEMBL5187932


SMILES CCCC[C@@H]1NC(=O)[C@@H]2CS/C(C(=O)O)=C(/C(N)=O)SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChIKey PNUQGRIALHGKEH-DYYKIGPLSA-N

Chemical properties

Hydrogen bond acceptors 26
Hydrogen bond donors 34
Rotatable bonds 35
Molecular weight (Da) 2167.0

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 8.01 8.01 8.01 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.53 6.53 6.53 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 9.32 9.32 9.32 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.59 8.59 8.59 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.95 7.95 7.95 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 5.87 5.87 5.87 ChEMBL