Molecule Details
| InChIKey | ZOBRPBVIEUWYJR-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxylic acid |
| Canonical SMILES | Cn1nc(C(=O)O)c2c1-c1nc(Nc3ccccc3)ncc1CC2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.06 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08355 |
|---|---|
| Drug Name | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50318080 CHEMBL1098060 ChemSpider: 24673106 PDB: P49 PubChem:44129603 PubChem:99444826 ZINC: ZINC000039001795
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.5 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 7.0 | IC50 | ChEMBL;BindingDB |