Compound Detail
CHEMBL4285110
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FC1(F)CC2(CC(Nc3nc(NC4CC5(C4)CC(F)(F)C5)nc(-c4cccc(Cl)n4)n3)C2)C1
Basic Information
| ChEMBL ID | CHEMBL4285110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBFHHOMGSNGWEC-UHFFFAOYSA-N |
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.9
MW (Da)
5.57
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.0 | 6.5067 | 100.0 | 6 |
| Isocitrate dehydrogenase [NADP], mitochondrial CHEMBL3991501 | IC50 | 7.0 | 6.445 | 100.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine