Compound Detail
CHEMBL5849539
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Basic Information
| ChEMBL ID | CHEMBL5849539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCZAWDGAVJMPTA-ULUSZKPHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.7
MW (Da)
4.31
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 5.4 | 5.4 | 3970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 3970.0 | nM | 5.4 | Cell Based Assays: The cellular potency of Compound 1 in suppressing intracellul... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 3970.0 | nM | 5.4 | In Vitro Biochemical Assay: Please see paper. | - |
Data from ChEMBL 36 via Core Engine