MAPROTILINE
| SMILES | CNCCCC12CCC(c3ccccc31)c1ccccc12 |
| InChIKey | QSLMDECMDJKHMQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 1 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 277.2 |
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 |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.78 | 8.88 | 8.99 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.4 | 6.57 | 6.73 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.3 | 6.48 | 6.66 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.94 | 6.06 | 6.18 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.91 | 6.91 | 6.91 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.78 | 8.94 | 9.1 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.18 | 6.18 | 6.18 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.37 | 6.37 | 6.37 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.3 | 6.3 | 6.3 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| H3 | HRH3 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.79 | 6.79 | 6.79 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.35 | 5.5 | 5.65 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.74 | 5.74 | 5.74 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.06 | 8.06 | 8.06 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.33 | 6.33 | 6.33 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.23 | 6.23 | 6.23 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.05 | 6.05 | 6.05 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.19 | 7.19 | 7.19 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.6 | 4.8 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.01 | 8.01 | 8.01 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |