Compound Detail
CHEMBL473540
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CC1(C)Oc2ccc(C#N)cc2[C@@H](n2sc3cc([N+](=O)[O-])ccc3c2=O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL473540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOPVVDCZRMHHHV-SJORKVTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
2.96
ALogP
8
HBA
1
HBD
118.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 9 CHEMBL1971 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 9 | EC50 | = | 4100.0 | nM | 5.39 | Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 ce... | 19101153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101153 | 10.1016/j.bmc.2008.11.055 | ATP-binding cassette sub-family C member 9 | 2 |
Data from ChEMBL 36 via Core Engine