CHEMBL5191309


SMILES CCCC[C@@H]1NC(=O)[C@@H]2CSc3nnc(nn3)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 ZKFHMXVIVJCDFY-KHKKPXNASA-N

Chemical properties

Hydrogen bond acceptors 28
Hydrogen bond donors 32
Rotatable bonds 33
Molecular weight (Da) 2134.0

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 9.14 9.14 9.14 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.96 7.96 7.96 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 10.35 10.35 10.35 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 7.38 7.38 7.38 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 9.74 9.74 9.74 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.75 8.75 8.75 ChEMBL