Compound Detail
CHEMBL290098
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CC(C)(N)CNC(=O)c1ccc2[nH]c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1
Basic Information
| ChEMBL ID | CHEMBL290098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWTYIKYMJQSIJQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
5.00
ALogP
4
HBA
4
HBD
104.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) CHEMBL2111331 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis. | 11412977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412977 | 10.1016/s0960-894x(01)00024-5 | KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | 1 |
Data from ChEMBL 36 via Core Engine