Molecule Details
| InChIKey | ODTNVBQMSINVPK-HXUWFJFHSA-N |
|---|---|
| Compound Name | (12R)-22-propan-2-ylspiro[10-oxa-2,18,20,24,25,26-hexazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4,6,8,19,21,23-heptaene-16,4'-piperidine]-12-ol |
| Canonical SMILES | CC(C)c1cnn2c3nc(nc12)NCC1(CCC[C@@H](O)COc2ccccc2CN3)CCNCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 8.7 | Ki | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 8.7 | Ki | ChEMBL |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 8.7 | Ki | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |