CHEMBL4572614
| SMILES | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |
| InChIKey | GEPUWJGKAOGNRH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 410.1 |
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-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.02 | 5.02 | 5.02 | ChEMBL |
| D5 | DRD5 | Human | Dopamine | A | pKi | 7.09 | 7.09 | 7.09 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.02 | 5.02 | 5.02 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.14 | 5.14 | 5.14 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.07 | 5.07 | 5.07 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.06 | 5.06 | 5.06 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.14 | 5.14 | 5.14 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.03 | 5.03 | 5.03 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.02 | 5.02 | 5.02 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Human | Dopamine | A | pEC50 | 6.64 | 7.7 | 8.77 | ChEMBL |