Molecule Details
| InChIKey | XQVDBOSCUDRTCQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[2-(dimethylamino)ethyl]-3,20-difluoro-13,18-dioxa-5,7,25-triazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaene-11-carboxamide |
| Canonical SMILES | CN(C)CCNC(=O)c1ccc2cc1OCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.73 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 9.0 | IC50 | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL |