Compound Detail
CHEMBL5895300
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Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)C)c2cccc(/C=C/C(=O)O)c12
Basic Information
| ChEMBL ID | CHEMBL5895300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNHSYSZAEPPKAS-BQYQJAHWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.8
MW (Da)
7.47
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.85 | 7.42 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 14.0 | nM | 7.85 | Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes: The IDH1R132H prote... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 102.0 | nM | 6.99 | Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes: The IDH1R132H prote... | - |
Data from ChEMBL 36 via Core Engine