Compound Detail
CHEMBL4292196
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H](Nc1nc(NC2(c3ccccc3)CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1
Basic Information
| ChEMBL ID | CHEMBL4292196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMQKYUIBTNHALE-CQSZACIVSA-N |
2
Targets
21
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.26
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 21 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 7.3 | 6.7557 | 50.0 | 14 |
| Isocitrate dehydrogenase [NADP], mitochondrial CHEMBL3991501 | IC50 | 7.3 | 7.1457 | 50.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine