Compound Detail
CHEMBL42423
4-Nitrocatechol Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL42423 |
| Name | 4-Nitrocatechol |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJNPNXSISMKQEX-UHFFFAOYSA-N |
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
155.1
MW (Da)
1.01
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738563 | 10.1016/s0960-894x(01)00680-1 | Nitric oxide synthase 1 | 3 |
| 2552117 | 10.1021/jm00130a020 | Epidermal growth factor receptor | 2 |
| - | 10.1016/0960-894X(96)00048-0 | Unchecked | 2 |
| - | 10.1016/0960-894X(96)00048-0 | Xanthine dehydrogenase/oxidase | 1 |
| 24262887 | 10.1016/j.bmc.2013.10.037 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 28778369 | 10.1016/j.bmc.2017.07.034 | Liver | 1 |
| 30940566 | 10.1016/j.bmc.2019.03.050 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine