CHEMBL5414451


SMILES C[C@@H]1NC(=O)c2cc(-c3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)ccc2SC[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](Cc2c[nH]cn2)NC1=O
InChIKey SSZDAFBCWHVROA-BNDGGGGKSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 16
Rotatable bonds 14
Molecular weight (Da) 1148.5

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 8.6 8.6 8.6 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.76 6.76 6.76 ChEMBL
MC4 MC4R Human Melanocortin A pKi 10.19 10.21 10.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.78 7.78 7.78 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 6.53 6.53 6.53 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.2 7.2 7.2 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.87 9.87 9.87 ChEMBL