Compound Detail
CHEMBL1203
ISONICOTINIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1203 |
| Name | ISONICOTINIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
4
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 |
| Chirality | Achiral |
Activity Summary
Ki 1 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinate phosphoribosyltransferase CHEMBL4523354 | Ki | 9.12 | 9.12 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinate phosphoribosyltransferase | Ki | = | 0.75 | nM | 9.12 | Inhibition of NAPRT (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 817022 | 10.1021/jm00226a007 | Mycobacterium tuberculosis | 2 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
| 817022 | 10.1021/jm00226a007 | No relevant target | 1 |
| 36228522 | 10.1016/j.bmc.2022.117046 | Mycobacterium tuberculosis variant bovis | 1 |
Data from ChEMBL 36 via Core Engine