Compound Detail
CHEMBL5982851
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CC(C)(F)c1onc(-c2c(F)cc(Cl)cc2Cl)c1C(=O)n1cc2c3c(cccc31)/C(=C/C(=O)O)CC2
Basic Information
| ChEMBL ID | CHEMBL5982851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKYRFHWXZPWGSG-XYOKQWHBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.3
MW (Da)
7.05
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.82 | 7.395 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 15.0 | nM | 7.82 | Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes: The IDH1R132H prote... | - |
| Isocitrate dehydrogenase [NADP] cytoplasmic | IC50 | = | 107.0 | nM | 6.97 | Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes: The IDH1R132H prote... | - |
Data from ChEMBL 36 via Core Engine