Compound Detail
CHEMBL301880
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Basic Information
| ChEMBL ID | CHEMBL301880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPXYJGHYGVCYKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.2
MW (Da)
2.80
ALogP
5
HBA
3
HBD
122.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) CHEMBL2111331 | IC50 | 4.04 | 4.04 | 91000.0 | 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 | = | 91000.0 | nM | 4.04 | Ability to inhibit autophosphorylation of KinA/Sp0F assay | 9873461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873461 | 10.1016/s0960-894x(98)00325-4 | KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) | 1 |
| 9873461 | 10.1016/s0960-894x(98)00325-4 | Bacteria | 1 |
Data from ChEMBL 36 via Core Engine