Compound Detail
CHEMBL20767
4-GUANIDINO-BENZOIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL20767 |
| Name | 4-GUANIDINO-BENZOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXTSBZBQQRIYCU-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
0.69
ALogP
2
HBA
4
HBD
99.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.2 | 6.2 | 630.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.94 | 5.94 | 1150.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.59 | 5.59 | 2560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 480.0 | nM | 6.32 | Inhibition of human CA12 by stopped-flow assay | 23265898 |
| Carbonic anhydrase 1 | Ki | = | 630.0 | nM | 6.2 | Inhibition of human CA1 by stopped-flow assay | 23265898 |
| Carbonic anhydrase 2 | Ki | = | 1150.0 | nM | 5.94 | Inhibition of human CA2 by stopped-flow assay | 23265898 |
| Carbonic anhydrase 9 | Ki | = | 2560.0 | nM | 5.59 | Inhibition of human CA9 by stopped-flow assay | 23265898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231595 | 10.1021/jm00173a008 | Urokinase-type plasminogen activator | 2 |
| 2231595 | 10.1021/jm00173a008 | Serine protease 1 | 2 |
| 23265898 | 10.1016/j.bmcl.2012.11.102 | Protein-arginine deiminase type-4 | 2 |
| 11312922 | 10.1021/jm000095f | Unchecked | 1 |
| 9406595 | 10.1021/jm970479e | Sialidase-3 | 1 |
| 2231595 | 10.1021/jm00173a008 | Plasminogen | 1 |
| 2231595 | 10.1021/jm00173a008 | Prothrombin | 1 |
| 2231595 | 10.1021/jm00173a008 | Tissue-type plasminogen activator | 1 |
| 2231595 | 10.1021/jm00173a008 | Plasma kallikrein | 1 |
| 15745817 | 10.1016/j.bmcl.2005.01.048 | Tryptase beta-1 | 1 |
| 23265898 | 10.1016/j.bmcl.2012.11.102 | Carbonic anhydrase 12 | 1 |
| 23265898 | 10.1016/j.bmcl.2012.11.102 | Carbonic anhydrase 9 | 1 |
| 23265898 | 10.1016/j.bmcl.2012.11.102 | Carbonic anhydrase 2 | 1 |
| 23265898 | 10.1016/j.bmcl.2012.11.102 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine