Compound Detail
CHEMBL21708
4-METHYLBENZOIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL21708 |
| Name | 4-METHYLBENZOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
136.2
MW (Da)
1.69
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 220.0 | nM | 6.66 | Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... | 22047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13215 | 10.1021/jm00211a010 | No relevant target | 4 |
| 1527790 | 10.1021/jm00096a014 | ADMET | 3 |
| 1527790 | 10.1021/jm00096a014 | Rattus norvegicus | 2 |
| 32435401 | 10.1021/acsmedchemlett.9b00661 | Sigma non-opioid intracellular receptor 1 | 2 |
| 32435401 | 10.1021/acsmedchemlett.9b00661 | Sigma intracellular receptor 2 | 2 |
| 32435401 | 10.1021/acsmedchemlett.9b00661 | MCF7 | 2 |
| 8667357 | 10.1021/jm950589q | ADMET | 1 |
| 6887198 | 10.1021/jm00363a006 | ADMET | 1 |
| 1527790 | 10.1021/jm00096a014 | No relevant target | 1 |
| 8411009 | 10.1021/jm00072a012 | Unchecked | 1 |
| 3950915 | 10.1021/jm00153a009 | Thiopurine S-methyltransferase | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | Mus musculus | 1 |
| 22047800 | 10.1016/j.bmc.2011.10.013 | No relevant target | 1 |
| 24269123 | 10.1016/j.bmcl.2013.11.004 | Unchecked | 1 |
| 13215 | 10.1021/jm00211a010 | Neuron | 1 |
| 915902 | 10.1021/jm00221a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine