Compound Detail
CHEMBL15972
BENZALDEHYDE 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 | CHEMBL15972 |
| Name | BENZALDEHYDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
7
Known Names
Molecular Properties
106.1
MW (Da)
1.50
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 10 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Cytochrome P450 2A5 CHEMBL4085 | IC50 | 5.48 | 5.48 | 3280.0 | 1 |
| Cytochrome P450 2A6 CHEMBL5282 | IC50 | 5.41 | 5.41 | 3920.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 4.15 | 4.15 | 70740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of protease activity of recombinant full length Clostridium botulinum... | 28043798 |
| Cytochrome P450 2A5 | IC50 | = | 3280.0 | nM | 5.48 | Inhibitory concentration against mouse cytochrome P450 2A5 | 15658857 |
| Cytochrome P450 2A6 | IC50 | = | 3920.0 | nM | 5.41 | Inhibitory concentration against human cytochrome P450 2A6 | 15658857 |
| B16-F10 | IC50 | = | 70740.0 | nM | 4.15 | Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability | 30594028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26986086 | 10.1016/j.ejmech.2016.03.008 | Unchecked | 6 |
| 18605734 | 10.1021/jf800780f | Bursaphelenchus xylophilus | 6 |
| 592323 | 10.1021/jm00222a009 | Ehrlich | 4 |
| 6887207 | 10.1021/jm00363a018 | Mus musculus | 4 |
| 23379671 | 10.1021/jf305164m | Collagen | 3 |
| 592322 | 10.1021/jm00222a008 | Ehrlich | 3 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 3 |
| 24499135 | 10.1021/jm401808n | Staphylococcus aureus | 2 |
| 23379671 | 10.1021/jf305164m | Meloidogyne incognita | 2 |
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 17602496 | 10.1021/jf070389a | Thrips obscuratus | 2 |
| 22137340 | 10.1016/j.bmcl.2011.11.041 | Estrogen receptor | 2 |
| 22357114 | 10.1016/j.ejmech.2012.01.048 | Mus musculus | 1 |
| 35450365 | 10.1021/acsmedchemlett.1c00721 | CCD-841CoN | 1 |
| 21476569 | 10.1021/jf200485k | Unchecked | 1 |
| 21476569 | 10.1021/jf200485k | Aldehyde oxidase 1 | 1 |
| 22873824 | 10.1021/np300345j | Indoleamine 2,3-dioxygenase 1 | 1 |
| 17512740 | 10.1016/j.bmc.2007.05.013 | Mus musculus | 1 |
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A6 | 1 |
| 14741268 | 10.1016/j.bmcl.2003.11.033 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine