Molecule Details
| InChIKey | DYTKVFHLKPDNRW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-Amino-4-methyl-5-thiazolyl)-N-(3-nitrophenyl)-2-pyrimidinamine |
| Canonical SMILES | Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.34 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02833 |
|---|---|
| Drug Name | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 8061 CHEMBL298445 ChemSpider: 394906 PDB: CK7 PubChem:447961 PubChem:46507897
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.7 | pIC50 | TTD_MultiTarget |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.4 | Ki | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL;BindingDB |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL;BindingDB |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.2 | Ki | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 7.1 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.1 | pIC50 | TTD_MultiTarget |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 7.1 | Ki | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 7.0 | pIC50 | TTD_MultiTarget |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.8 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | pIC50 | TTD_MultiTarget |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.8 | Ki | ChEMBL |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.8 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.7 | IC50 | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 6.7 | IC50 | ChEMBL;BindingDB |