Compound Detail
CHEMBL26862
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Basic Information
| ChEMBL ID | CHEMBL26862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKXCCCBFKRBBEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
-0.86
ALogP
4
HBA
5
HBD
135.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-dehydroquinate synthase CHEMBL3554 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-dehydroquinate synthase | Ki | = | 220.0 | nM | 6.66 | Inhibition constant against 3-dehydroquinate synthase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80510-7 | 3-dehydroquinate synthase | 4 |
Data from ChEMBL 36 via Core Engine