SB 206553


SMILES O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1
InChIKey QJQORSLQNXDVGE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 292.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.6 5.7 5.8 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.6 8.05 8.5 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.8 7.85 7.9 Guide to Pharmacology
5-HT2C 5HT2C Mouse 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKd 8.48 8.49 8.5 ChEMBL
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.6 7.81 8.37 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.9 8.09 8.55 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.7 5.75 5.79 ChEMBL
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.64 5.71 5.78 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.79 8.07 8.5 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Guinea pig 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 8.89 8.89 8.89 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.65 7.82 8.26 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.9 4.9 4.9 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pEC50 7.89 7.89 7.89 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 8.03 8.03 8.03 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.5 5.5 5.5 ChEMBL