compound (S)-3h [PMID: 15686947]


SMILES N#Cc1c(cccc1Cl)OC[C@@H](CN1CCC[C@H]1Cc1ccccc1)O
InChIKey HSTMYWDURDPUMY-ZWKOTPCHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 370.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Human Melanocortin A pKi 7.28 7.28 7.28 Guide to Pharmacology
MC4 MC4R Human Melanocortin A pKi 9.6 9.6 9.6 Guide to Pharmacology
MC5 MC5R Human Melanocortin A pKi 7.77 7.77 7.77 Guide to Pharmacology
MC1 MSHR Human Melanocortin A pKi 8.19 8.59 8.72 ChEMBL
MC5 MC5R Human Melanocortin A pKi 7.77 7.77 7.77 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.7 6.85 7.28 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.61 8.14 9.6 ChEMBL
MC4 MC4R Human Melanocortin A pKd 8.1 8.1 8.1 Drug Central
MC5 MC5R Human Melanocortin A pKi 8.11 8.11 8.11 Drug Central
MC1 MSHR Human Melanocortin A pKi 8.19 8.19 8.19 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 10.02 10.08 10.11 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.7 6.7 6.71 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.62 8.99 9.17 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.39 9.22 9.92 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 8.0 8.0 8.0 Drug Central
MC3 MC3R Human Melanocortin A pEC50 8.06 8.06 8.06 Drug Central