Compound Detail
CHEMBL72628
2-PICOLINIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL72628 |
| Name | 2-PICOLINIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIOXPEMLGUPBBT-UHFFFAOYSA-N |
4
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
123.1
MW (Da)
0.78
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 8.94
IC50 4 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinate phosphoribosyltransferase CHEMBL4523354 | Ki | 8.94 | 8.94 | 1.2 | 1 |
| Beta-lactamase CHEMBL3885662 | Ki | 5.24 | 4.5667 | 5700.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Transmembrane prolyl 4-hydroxylase CHEMBL3047 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinate phosphoribosyltransferase | Ki | = | 1.16 | nM | 8.94 | Inhibition of NAPRT (unknown origin) | - |
| Beta-lactamase | Ki | = | 5700.0 | nM | 5.24 | Inhibition of Aeromonas hydrophila beta lactamase CphA by competitive inhibition... | 17307979 |
| Unchecked | Ki | = | 13000.0 | nM | 4.89 | Inhibition of Aeromonas hydrophila beta lactamase CphA N116H-N220G mutant by com... | 17307979 |
| Beta-lactamase | Ki | = | 46000.0 | nM | 4.34 | Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 7.0 | 17307979 |
| Beta-lactamase | Ki | = | 76000.0 | nM | 4.12 | Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 8.0 | 17307979 |
| Transmembrane prolyl 4-hydroxylase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of prolyl 4-hydroxylase | 1312598 |
Literature References
Data from ChEMBL 36 via Core Engine