BRD-K45895591 (BRD-K45895591)
Overview
- pert_id
- BRD-K45895591
- Name
- BRD-K45895591
- Collection
- IONC
- MOA
- Unknown
- Target(s)
- Unknown
- Indication(s)
- Unknown
- Phase
- Unknown
- Canonical SMILES
- CCOC(=O)N1CCC(CC1)NC(=O)c2ccc3SCCN(Cc4ccc(F)cc4)c3c2
- InChI key
- InChIKey=BWDIIPBAILAAOX-UHFFFAOYSA-N
- InChI string
- InChI=1S/C24H28FN3O3S/c1-2-31-24(30)27-11-9-20(10-12-27)26-23(29)18-5-8-22-21(15-18)28(13-14-32-22)16-17-3-6-19(25)7-4-17/h3-8,15,20H,2,9-14,16H2,1H3,(H,26,29)
- Molecular formula
- C24H28FN3O3S
- Molecular weight
- 457.561
External links
- PubChem
- 9550235
- SEP-L1000
- BRD-K45895591
Predicted MOAs
| MOA | Probability |
|---|---|
| dopamine receptor antagonist | 0.4598 |
| adrenergic receptor antagonist | 0.0747 |
| calcium channel blocker | 0.0581 |
| histamine receptor antagonist | 0.0473 |
| EGFR inhibitor | 0.0412 |
| PARP inhibitor | 0.0403 |
| PLK inhibitor | 0.0322 |
| cyclooxygenase inhibitor | 0.0226 |
| mTOR inhibitor | 0.0214 |
| tubulin polymerization inhibitor | 0.0210 |
Chemical structure
