PIPAMAZINE
| SMILES | NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 |
| InChIKey | OSJJYEUEJRVVOD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 401.1 |
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-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.02 | 9.02 | 9.02 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.94 | 8.94 | 8.94 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.26 | 9.26 | 9.26 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.87 | 8.87 | 8.87 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 8.59 | 8.59 | 8.59 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.76 | 8.76 | 8.76 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.29 | 8.29 | 8.29 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 7.35 | 7.35 | 7.35 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 8.71 | 8.71 | 8.71 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 7.18 | 7.18 | 7.18 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.31 | 7.31 | 7.31 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.95 | 6.95 | 6.95 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.71 | 8.71 | 8.71 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.33 | 8.33 | 8.33 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.39 | 8.39 | 8.39 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |