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 |
| Endogenous/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 | 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-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 |
| 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 |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.13 | 5.27 | 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 |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.36 | 5.54 | 5.72 | 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 |
| 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-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D3 | DRD3 | Rat | Dopamine | 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 |