Molecule Details
| InChIKey | QSDVZPULRUJSBC-OCCSQVGLSA-N |
|---|---|
| Compound Name | 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Canonical SMILES | Cc1c(Nc2nc(N)c3c(C#N)c(N4CCC[C@H]4C)n(C)c3n2)cnn1[C@H]1CCOC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.6 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.2 | Kd | ChEMBL;BindingDB |
| Q9UBF8 | PI4KB | Homo sapiens | Human | PF00454 PF21245 | 6.1 | Kd | ChEMBL;BindingDB |
| Q13233 | MAP3K1 | Homo sapiens | Human | PF21040 PF00069 PF04434 | 6.1 | IC50 | ChEMBL;BindingDB |