roxindole


SMILES Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2
InChIKey HGEYJZMMUGWEOT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 346.2

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-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.4 9.65 9.9 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.8 5.9 6.0 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.0 7.1 7.2 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
α1A ADA1A Human Adrenoceptors A pKi 8.6 8.6 8.6 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 8.3 8.3 8.3 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 8.8 8.8 8.8 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 8.6 8.6 8.6 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 7.85 8.32 9.06 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.62 7.62 7.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.36 8.46 8.55 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 8.55 8.55 8.55 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.33 6.33 6.33 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.93 8.93 8.93 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.23 8.23 8.23 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.72 6.72 6.72 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.59 8.73 8.87 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 8.21 8.21 8.21 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 8.34 8.34 8.34 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 8.75 8.75 8.75 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.57 5.57 5.57 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 6.03 6.03 6.03 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.94 9.94 9.94 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.51 7.51 7.51 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 6.89 6.89 6.89 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.51 6.51 6.51 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 9.4 9.4 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 8.22 8.23 8.25 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 9.1 9.1 9.1 ChEMBL
D2 DRD2 Human Dopamine A pEC50 9.43 9.43 9.43 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 9.1 9.1 9.1 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL