Molecule Details
| InChIKey | CBMDGSCTUBJWIN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3,21-difluoro-N-(2-morpholin-4-ylethyl)-13,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,20,22-nonaene-11-carboxamide |
| Canonical SMILES | O=C(NCCN1CCOCC1)c1ccc2cc1OCCCCCOc1cc(ccc1F)-c1nc(ncc1F)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| 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 | 7.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |