UCSF924
| SMILES | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 |
| InChIKey | RPHDOVLXDYWDGF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 322.2 |
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-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.24 | 5.25 | 5.25 | ChEMBL |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 5.17 | 5.19 | 5.2 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.49 | 5.5 | 5.5 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.47 | 5.48 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.52 | 5.55 | 5.59 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.72 | 5.73 | 5.75 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.31 | 8.58 | 9.7 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.33 | 5.33 | 5.34 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.17 | 5.19 | 5.2 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.47 | 5.48 | 5.5 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.63 | 6.64 | 6.65 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.35 | 5.38 | 5.4 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.39 | 5.39 | 5.4 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.65 | 6.66 | 6.67 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.49 | 5.5 | 5.5 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.64 | 5.65 | 5.66 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.36 | 5.38 | 5.4 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D4 | DRD4 | Human | Dopamine | A | pEC50 | 8.38 | 8.64 | 9.7 | ChEMBL |