Compound Detail
CHEMBL177846
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Basic Information
| ChEMBL ID | CHEMBL177846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKXCCCBFKRBBEO-GKROBHDKSA-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 | Compound was evaluated for its inhibitory constant against 3-dehydroquinate synt... | 7241506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7241506 | 10.1021/jm00137a004 | 3-dehydroquinate synthase | 1 |
Data from ChEMBL 36 via Core Engine