Fluorocarazolol,(S)


SMILES CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
InChIKey QHLGXPUIUKSADT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 316.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.47 6.97 7.47 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.14 6.31 6.49 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.48 5.5 5.51 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.15 5.17 5.19 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.56 5.66 5.76 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.4 5.8 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.23 5.27 5.31 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 5.34 5.75 6.17 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.49 5.85 6.21 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.47 5.5 5.54 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 5.0 5.03 5.05 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 9.35 9.64 9.94 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 9.86 9.98 10.1 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.13 5.27 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.36 5.54 5.72 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
δ OPRD Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
μ OPRM Human Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
V2 V2R Human Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Rat 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