Compound Detail
CHEMBL98797
NITROSOBENZENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL98797 |
| Name | NITROSOBENZENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLRKCXQQSUWLCH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
107.1
MW (Da)
2.08
ALogP
2
HBA
0
HBD
29.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldehyde dehydrogenase 1A1 CHEMBL2931 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldehyde dehydrogenase 1A1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity against yeast aldehyde dehydrogenase (AIDH) | 9667978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23895568 | 10.1021/jm400057r | Glyceraldehyde-3-phosphate dehydrogenase | 2 |
| 9667978 | 10.1021/jm980200+ | Aldehyde dehydrogenase 1A1 | 1 |
| 3882967 | 10.1021/jm00381a013 | No relevant target | 1 |
| 23895568 | 10.1021/jm400057r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine