Molecule Details
| InChIKey | DYNHJHQFHQTFTP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Crenolanib |
| Canonical SMILES | CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 38 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11832 |
|---|---|
| Drug Name | Crenolanib |
| CAS Number | 670220-88-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Crenolanib is under investigation for the treatment of Diffuse Intrinsic Pontine Glioma and Progressive or Refractory High-Grade Glioma. |
Categories: Antineoplastic Agents Heterocyclic Compounds, Fused-Ring Receptor, Platelet-Derived Growth Factor alpha, antagonists & inhibitors Receptor, Platelet-Derived Growth Factor beta, antagonists & inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 185149 ChEBI: 145365 CHEMBL2105728 ChemSpider: 8541584 PDB: 6T2 PubChem:10366136 PubChem:347828178 Wikipedia: Crenolanib ZINC: ZINC000003820043
Target Activities (38)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 9.1 | Kd | ChEMBL;BindingDB |
| Q9Y2K2 | SIK3 | Homo sapiens | Human | PF00069 PF23312 | 8.7 | Kd | ChEMBL |
| P30085 | CMPK1 | Homo sapiens | Human | PF00406 | 8.5 | Kd | ChEMBL |
| Q9NTK5 | OLA1 | Homo sapiens | Human | PF01926 PF06071 | 8.2 | Kd | ChEMBL |
| Q9P2R7 | SUCLA2 | Homo sapiens | Human | PF08442 PF00549 | 8.2 | Kd | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.1 | Kd | ChEMBL |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.0 | IC50 | ChEMBL |
| P38117 | ETFB | Homo sapiens | Human | PF01012 | 7.9 | Kd | ChEMBL |
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 7.9 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 7.8 | Kd | ChEMBL |
| Q96L34 | MARK4 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 7.6 | Kd | ChEMBL |
| P07741 | APRT | Homo sapiens | Human | PF00156 | 7.5 | Kd | ChEMBL |
| P16083 | NQO2 | Homo sapiens | Human | PF02525 | 7.4 | Kd | ChEMBL |
| P41250 | GARS1 | Homo sapiens | Human | PF03129 PF00587 PF00458 | 7.4 | Kd | ChEMBL |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 7.4 | Kd | ChEMBL |
| Q9Y6E0 | STK24 | Homo sapiens | Human | PF20929 PF00069 | 7.2 | Kd | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 7.2 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.0 | Kd | ChEMBL |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Kd | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| Q96RR4 | CAMKK2 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| Q16512 | PKN1 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.8 | Kd | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.7 | Kd | ChEMBL |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Kd | ChEMBL |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.5 | Kd | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.4 | Kd | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | Kd | ChEMBL |
| Q13043 | STK4 | Homo sapiens | Human | PF11629 PF00069 | 6.2 | Kd | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.1 | Kd | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.1 | Kd | ChEMBL |
| O75460 | ERN1 | Homo sapiens | Human | PF00069 PF06479 | 6.1 | IC50 | BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.1 | Kd | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.1 | Kd | ChEMBL |
| O75385 | ULK1 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.1 | Kd | ChEMBL |
| O96013 | PAK4 | Homo sapiens | Human | PF00786 PF00069 | 6.0 | Kd | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |