CHEMBL4099889


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChIKey HPVULTYLDIMYRI-RBKBAHBVSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 21
Rotatable bonds 21
Molecular weight (Da) 1727.8

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 6.08 6.28 6.47 ChEMBL
MC3 MC3R Human Melanocortin A pKi 4.27 4.27 4.27 ChEMBL
MC4 MC4R Human Melanocortin A pKi 4.94 5.58 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.07 7.13 7.19 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 4.6 5.3 6.0 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.57 6.06 6.55 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.44 6.9 8.51 ChEMBL