GR 127935


SMILES COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C
InChIKey YDBCEBYHYKAFRX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 497.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.1 7.15 7.2 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.0 9.3 9.8 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.3 8.65 9.1 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.4 6.8 7.2 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 Guide to Pharmacology
5-HT1D 5HT1D Guinea pig 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.37 9.27 9.85 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.91 8.94 9.9 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.98 6.98 6.98 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.1 7.13 7.16 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.1 8.94 9.85 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.91 8.82 9.92 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.2 5.2 5.2 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.22 8.36 8.5 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.1 7.15 7.2 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.37 7.58 7.8 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.98 6.99 7.0 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.0 5.4 5.8 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.6 6.2 PDSP Ki database
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 8.37 8.37 8.37 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.37 7.58 7.8 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pIC50 7.28 7.28 7.28 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 8.8 8.8 8.8 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pIC50 7.28 7.28 7.28 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.37 6.41 6.44 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.8 4.8 4.8 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.5 4.67 4.85 ChEMBL