QUINACRINE
| SMILES | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |
| InChIKey | GPKJTRJOBQGKQK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 399.2 |
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 |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.74 | 5.74 | 5.74 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.45 | 5.45 | 5.45 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.83 | 5.83 | 5.83 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |