Compound Detail
CHEMBL156711
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Basic Information
| ChEMBL ID | CHEMBL156711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNHYMFKEBUOPPZ-BZPMIXESSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
0.62
ALogP
6
HBA
3
HBD
130.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-dehydroquinate dehydratase CHEMBL5276 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-dehydroquinate dehydratase | Ki | = | 45000.0 | nM | 4.35 | In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquin... | 14667226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667226 | 10.1021/jm030987q | 3-dehydroquinate dehydratase | 1 |
Data from ChEMBL 36 via Core Engine