Compound Detail
CHEMBL3245250
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Basic Information
| ChEMBL ID | CHEMBL3245250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCKKRKWKSUZWDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
189.6
MW (Da)
0.43
ALogP
4
HBA
3
HBD
73.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyridoxal kinase CHEMBL1075181 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyridoxal kinase | Ki | = | 24000.0 | nM | 4.62 | Competitive inhibition of pyridoxal phosphokinase (unknown origin) | 559765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 559765 | 10.1021/jm00216a002 | TA3 | 2 |
| 559765 | 10.1021/jm00216a002 | Pyridoxal kinase | 1 |
Data from ChEMBL 36 via Core Engine