Compound Detail
CHEMBL4293652
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Basic Information
| ChEMBL ID | CHEMBL4293652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFCNVKABVPLJJM-NXEZZACHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.50
ALogP
7
HBA
2
HBD
80.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.3 | 7.165 | 50.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 50.0 | nM | 7.3 | Inhibition of DH1 R132H mutant homodimer (unknown origin) expressed in Sf9 cells... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 75.0 | nM | 7.12 | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors: A test compound is prepar... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 75.0 | nM | 7.12 | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors: A test compound is prepar... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 75.0 | nM | 7.12 | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors: A test compound is prepar... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29847930 | 10.1021/acs.jmedchem.8b00159 | Isocitrate dehydrogenase [NADP] cytoplasmic | 2 |
| 29847930 | 10.1021/acs.jmedchem.8b00159 | Isocitrate dehydrogenase [NADP], mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine