Compound Detail
CHEMBL2228156
2-CHLORONICOTINALDEHYDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2228156 |
| Name | 2-CHLORONICOTINALDEHYDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
141.6
MW (Da)
1.55
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|---|---|
| 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 |
|---|---|---|---|
| 21476569 | 10.1021/jf200485k | Tyrosinase | 2 |
| 21476569 | 10.1021/jf200485k | Aldehyde oxidase 1 | 1 |
| 21476569 | 10.1021/jf200485k | Unchecked | 1 |
| 30594028 | 10.1016/j.ejmech.2018.11.026 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine