Compound Detail
CHEMBL298312
METACRESOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL298312 |
| Name | METACRESOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLSSMJSEOOYNOY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
19
Publications
4
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 |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.34 | 6.325 | 45.7 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 45.71 | nM | 7.34 | Inhibition of acetylcholinesterase. | 1738151 |
| Acetylcholinesterase | IC50 | = | 4900.0 | nM | 5.31 | IC50 against acetylcholinesterase; value ranges from 1-4900 nM. | 1738151 |
| Leishmania donovani | IC50 | = | 9200.0 | nM | 5.04 | Antileishmanial activity against promastigote forms of Leishmania donovani by al... | 25084548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279782 | 10.1021/jm050567w | L1210 | 4 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
| 1738151 | 10.1021/jm00081a022 | Acetylcholinesterase | 2 |
| 25084548 | 10.1021/np5000473 | Leishmania donovani | 2 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 2 |
| 8254344 | 10.1021/np50099a002 | Trichophyton mentagrophytes | 2 |
| 8254344 | 10.1021/np50099a002 | Bacillus subtilis | 2 |
| 8254344 | 10.1021/np50099a002 | Candida albicans | 2 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 3882967 | 10.1021/jm00381a013 | No relevant target | 1 |
| 818381 | 10.1021/jm00227a004 | Aspergillus niger | 1 |
| 8254344 | 10.1021/np50099a002 | Amorphotheca resinae | 1 |
| 8254344 | 10.1021/np50099a002 | Escherichia coli | 1 |
| 8254344 | 10.1021/np50099a002 | ADMET | 1 |
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
| 9677265 | 10.1021/np970367q | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | 1 |
| 15857133 | 10.1021/jm048980b | No relevant target | 1 |
| 2033592 | 10.1021/jm00109a021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine