Compound Detail
CHEMBL243816
3-HYDROXYBENZALDEHYDE 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 | CHEMBL243816 |
| Name | 3-HYDROXYBENZALDEHYDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
122.1
MW (Da)
1.20
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 8200.0 | nM | 5.09 | Growth inhibition of human MDA-MB-231 cells after 72 hrs by alamar blue assay | 28001067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26986086 | 10.1016/j.ejmech.2016.03.008 | Unchecked | 11 |
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 23379671 | 10.1021/jf305164m | Meloidogyne incognita | 2 |
| 26986086 | 10.1016/j.ejmech.2016.03.008 | No relevant target | 1 |
| 28197313 | 10.1021/acsmedchemlett.6b00417 | Myeloperoxidase | 1 |
| 28001067 | 10.1021/acs.jnatprod.6b00759 | Unchecked | 1 |
| 28001067 | 10.1021/acs.jnatprod.6b00759 | MDA-MB-231 | 1 |
| 28001067 | 10.1021/acs.jnatprod.6b00759 | Plasmodium falciparum | 1 |
| - | 10.1039/C6MD00425C | C6 | 1 |
| - | 10.1039/C6MD00425C | U138-MG | 1 |
Data from ChEMBL 36 via Core Engine