Compound Detail
CHEMBL4291957
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Fc1ccc([C@H]2C[C@@H](Nc3nc(N[C@H]4C[C@@H](c5ccc(F)cc5)C4)nc(-c4cccc(C(F)(F)F)n4)n3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL4291957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMLSZZYWTRQLTB-MBEIMAIZSA-N |
3
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
6.95
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.0 | 6.63 | 100.0 | 8 |
| 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