Compound Detail
CHEMBL435920
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Basic Information
| ChEMBL ID | CHEMBL435920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPHQXPPVJCWUGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
350.3
MW (Da)
0.28
ALogP
8
HBA
5
HBD
181.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD(P)H dehydrogenase [quinone] 1 CHEMBL3623 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD(P)H dehydrogenase [quinone] 1 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of human recombinant NQO1 | 17011189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17011189 | 10.1016/j.bmcl.2006.09.015 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
Data from ChEMBL 36 via Core Engine