Compound Detail
CHEMBL5408932
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Basic Information
| ChEMBL ID | CHEMBL5408932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXYIOARJXVTYJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
5.71
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 18.0 | nM | 7.75 | Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escher... | 36952395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36952395 | 10.1021/acs.jmedchem.3c00203 | Isocitrate dehydrogenase [NADP] cytoplasmic | 8 |
| 36952395 | 10.1021/acs.jmedchem.3c00203 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine