THIQ


SMILES O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl
InChIKey HLCHESOMJVGDSJ-LOYHVIPDSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 588.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7F58

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 5.82 6.15 6.52 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.3 5.69 6.07 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.35 6.0 6.9 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.19 7.88 10.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pIC50 8.9 8.9 8.9 Guide to Pharmacology
MC5 MC5R Rat Melanocortin A pIC50 5.8 5.8 5.8 ChEMBL
MC3 MC3R Rat Melanocortin A pEC50 5.88 5.88 5.88 ChEMBL
MC3 MC3R Rat Melanocortin A pIC50 5.72 5.72 5.72 ChEMBL
MC4 MC4R Rat Melanocortin A pEC50 8.54 8.54 8.54 ChEMBL
MC4 MC4R Rat Melanocortin A pIC50 9.22 9.22 9.22 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 8.12 8.12 8.12 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 5.54 6.31 8.3 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 5.68 5.69 5.69 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 5.57 5.99 6.13 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.49 6.49 6.49 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.6 5.89 6.8 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 6.12 6.12 6.12 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.31 8.48 9.21 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 8.05 8.78 8.92 ChEMBL