Molecule Details
| InChIKey | UAFDMWGGQQODTL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-Methylsulfonyl-16-(piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4(9),5,7,17,19,21-heptaene |
| Canonical SMILES | CC(C)c1cnn2c3nc(nc12)N(CC1CCNCC1)CCCCCOc1cc(S(C)(=O)=O)ccc1CN3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.22 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.6 | Ki | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.6 | Ki | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.6 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.6 | Ki | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.3 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.7 | Ki | ChEMBL |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 7.7 | Ki | ChEMBL |