Compound Detail
CHEMBL16645
p-CRESOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL16645 |
| Name | p-CRESOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWDCLRJOBJJRNH-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
108.1
MW (Da)
1.70
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.74 | 7.025 | 1.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1.82 | nM | 8.74 | Inhibition of acetylcholinesterase. | 1738151 |
| Acetylcholinesterase | IC50 | = | 4900.0 | nM | 5.31 | IC50 against acetylcholinesterase; value ranges from 1-4900 nM. | 1738151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1-6 | 3 |
| 12459019 | 10.1021/jm010481c | Sulfotransferase 1A1 | 3 |
| 27908763 | 10.1016/j.bmcl.2016.11.048 | No relevant target | 3 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 2 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
| 1738151 | 10.1021/jm00081a022 | Acetylcholinesterase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 16279782 | 10.1021/jm050567w | L1210 | 2 |
| 15857133 | 10.1021/jm048980b | No relevant target | 1 |
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
| 16279782 | 10.1021/jm050567w | ADMET | 1 |
| 16279782 | 10.1021/jm050567w | CCRF-CEM | 1 |
| 16279782 | 10.1021/jm050567w | HL-60 | 1 |
| 16686532 | 10.1021/jm0510530 | Radical scavenging activity | 1 |
| 3172126 | 10.1021/jm00118a010 | ADMET | 1 |
| 15546710 | 10.1016/j.bmcl.2004.10.006 | Rattus norvegicus | 1 |
| 11527738 | 10.1016/s0960-894x(01)00438-3 | No relevant target | 1 |
| 10866370 | 10.1016/s0960-894x(00)00172-4 | No relevant target | 1 |
| 3172126 | 10.1021/jm00118a010 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine