ABT-594
| SMILES | C1CNC1COC2=CN=C(C=C2)Cl |
| InChIKey | MKTAGSRKQIGEBH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 198.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.05 | 6.05 | 6.05 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.22 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.47 | 6.47 | 6.47 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| H3 | HRH3 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| B2 | BKRB2 | Human | Bradykinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| CCK2 | GASR | Human | Cholecystokinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| ETA | EDNRA | Human | Endothelin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Y2 | NPY2R | Human | Neuropeptide Y | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| NK3 | NK3R | Human | Tachykinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| A1 | AA1R | Human | Adenosine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| A3 | AA3R | Human | Adenosine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |