RS-127445


SMILES Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C
InChIKey ZZZQXCUPAJFVBN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 281.1

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
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 9.0 9.24 9.49 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.5 9.5 9.5 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.03 6.17 6.3 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.97 9.23 9.5 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.33 6.37 6.4 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.72 8.44 9.15 ChEMBL