MEPAZINE
| SMILES | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 |
| InChIKey | CBHCDHNUZWWAPP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 310.2 |
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 |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.74 | 6.74 | 6.74 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.51 | 8.51 | 8.51 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.84 | 6.84 | 6.84 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.86 | 6.86 | 6.86 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.86 | 6.86 | 6.86 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.29 | 6.29 | 6.29 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.74 | 5.74 | 5.74 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.16 | 8.16 | 8.16 | Drug Central |