JTC-801 (BRD-K17705806)
Overview
- pert_id
- BRD-K17705806
- Name
- JTC-801
- Synonyms
- S2722
- Collection
- BIOA
- Summary
- JTC-801 is a selective opioid receptor-like1 (ORL1) receptor antagonist with IC50 of 94 nM.
- MOA
- opioid receptor antagonist
- Target(s)
- OPRL1
- Indication(s)
- Unknown
- Phase
- Phase 2
- Canonical SMILES
- CCc1ccc(OCc2ccccc2C(=O)Nc3ccc4nc(C)cc(N)c4c3)cc1
- InChI key
- InChIKey=VTGBZWHPJFMTKS-UHFFFAOYSA-N
- InChI string
- InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
- Molecular formula
- C26H25N3O2
- Molecular weight
- 447.957
External links
- PubChem
- 5311340
- Wikipedia
- http://www.selleckchem.com/products/jtc-801.html
- SEP-L1000
- BRD-K17705806
Predicted MOAs
| MOA | Probability |
|---|---|
| EGFR inhibitor | 0.1750 |
| MEK inhibitor | 0.1073 |
| protein synthesis inhibitor | 0.0727 |
| PLK inhibitor | 0.0724 |
| HSP inhibitor | 0.0641 |
| tubulin polymerization inhibitor | 0.0491 |
| PARP inhibitor | 0.0481 |
| calcium channel blocker | 0.0347 |
| HDAC inhibitor | 0.0323 |
| cyclooxygenase inhibitor | 0.0295 |
Chemical structure
