Compound Detail
CHEMBL4471075
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Basic Information
| ChEMBL ID | CHEMBL4471075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYKBIVPSHFCDCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.65
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed... | 30600148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30600148 | 10.1016/j.bmc.2018.12.029 | Isocitrate dehydrogenase [NADP] cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine