Molecule Details
| InChIKey | QOECJCJVIMVJGX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine |
| Canonical SMILES | COc1cc2c(NC3CCN(C(C)C)CC3)nc(C3CCCCC3)nc2cc1OCCCN1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9H9B1 | EHMT1 | Homo sapiens | Human | PF12796 PF13637 PF21533 PF05033 PF00856 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q96KQ7 | EHMT2 | Homo sapiens | Human | PF00023 PF12796 PF21533 PF05033 PF00856 | 7.3 | IC50 | ChEMBL;BindingDB |
| O60341 | KDM1A | Homo sapiens | Human | PF01593 PF04433 | 6.8 | IC50 | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |