BRD-K53780220 (BRD-K53780220)
Overview
- pert_id
- BRD-K53780220
- Name
- BRD-K53780220
- Collection
- STRD
- MOA
- Unknown
- Target(s)
- Unknown
- Indication(s)
- Unknown
- Phase
- Unknown
- Canonical SMILES
- C(Nc1nc(nc2n(cnc12)-c1ccsc1)N1CCOCC1)c1nc2ccccc2[nH]1
- InChI key
- InChIKey=NIFSAJKTGRRAOJ-UHFFFAOYSA-N
- InChI string
- InChI=1S/C21H20N8OS/c1-2-4-16-15(3-1)24-17(25-16)11-22-19-18-20(29(13-23-18)14-5-10-31-12-14)27-21(26-19)28-6-8-30-9-7-28/h1-5,10,12-13H,6-9,11H2,(H,24,25)(H,22,26,27)
- Molecular formula
- C21H20N8OS
- Molecular weight
- 432.501
External links
- PubChem
- 45115629
- SEP-L1000
- BRD-K53780220
Predicted MOAs
| MOA | Probability |
|---|---|
| CDK inhibitor | 0.3503 |
| PI3K inhibitor | 0.2622 |
| Aurora kinase inhibitor | 0.1974 |
| dopamine receptor antagonist | 0.0312 |
| histamine receptor antagonist | 0.0232 |
| HSP inhibitor | 0.0143 |
| adrenergic receptor antagonist | 0.0129 |
| HDAC inhibitor | 0.0107 |
| mTOR inhibitor | 0.0103 |
| protein synthesis inhibitor | 0.0094 |
Chemical structure
