Compound Detail
CHEMBL1413005
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
Basic Information
| ChEMBL ID | CHEMBL1413005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPNZYXZOTDGFSK-GDNBJRDFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
276.1
MW (Da)
3.71
ALogP
1
HBA
0
HBD
26.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 6.08 | 5.13 | 840.0 | 2 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 840.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 22100.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 66000.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ... | - |
Data from ChEMBL 36 via Core Engine