Compound Detail
CHEMBL268493
NICOTINALDEHYDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL268493 |
| Name | NICOTINALDEHYDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
107.1
MW (Da)
0.89
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of Agaricus bisporus (mushroom) tyrosinase | 21476569 |
| Unchecked | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of Mycobacterium tuberculosis MTCC 300 DAH7PS expressed in Escherichi... | 26491981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26491981 | 10.1016/j.ejmech.2015.10.014 | Unchecked | 4 |
| 21476569 | 10.1021/jf200485k | Aldehyde oxidase 1 | 2 |
| 21476569 | 10.1021/jf200485k | Unchecked | 2 |
| 22769561 | 10.1021/jf302075w | Meloidogyne incognita | 2 |
| 24499135 | 10.1021/jm401808n | Staphylococcus aureus | 2 |
| 6127411 | 10.1021/jm00351a015 | GABA-A receptor; anion channel | 1 |
| 21476569 | 10.1021/jf200485k | Tyrosinase | 1 |
| 24499135 | 10.1021/jm401808n | Quinolone resistance protein NorA | 1 |
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 30777661 | 10.1016/j.bmc.2019.02.015 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine