Compound Detail
CHEMBL101996
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Basic Information
| ChEMBL ID | CHEMBL101996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIHKQNOFFQZHRM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
-0.88
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Deoxyhypusine synthase CHEMBL2539 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Deoxyhypusine synthase | IC50 | = | 6800.0 | nM | 5.17 | In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase. | 7636868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636868 | 10.1021/jm00016a008 | Deoxyhypusine synthase | 1 |
Data from ChEMBL 36 via Core Engine