Compound Detail
CHEMBL15841
ETHYLPARABEN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL15841 |
| Name | ETHYLPARABEN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
8
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
16
Known Names
Molecular Properties
166.2
MW (Da)
1.57
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
ATC Classification
D01AE10
ethyl hydroxybenzoate
Level 1: DERMATOLOGICALS
Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE
Activity Summary
Ki 6 meas. best 5.32
EC50 2 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 5.73 | 5.73 | 1860.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 5.11 | 5.11 | 7700.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.09 | 5.09 | 8200.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.07 | 5.07 | 8600.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.06 | 5.06 | 8700.0 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 4.42 | 4.42 | 38200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine