Compound Detail
CHEMBL190265
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Basic Information
| ChEMBL ID | CHEMBL190265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTEDVYGIJPLVFF-XAHCXIQSSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
-1.52
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 4.52
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-dehydroquinate dehydratase CHEMBL5276 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-dehydroquinate dehydratase | Kd | = | 30000.0 | nM | 4.52 | Binding affinity for Streptomyces coelicolor DHQase 2 | 16480265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480265 | 10.1021/jm0505361 | 3-dehydroquinate dehydratase | 3 |
| 16033267 | 10.1021/jm0501836 | 3-dehydroquinate dehydratase | 1 |
Data from ChEMBL 36 via Core Engine