Compound Detail
CHEMBL442687
TIOXOLONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL442687 |
| Name | TIOXOLONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SLYPOVJCSQHITR-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications
Molecular Properties
168.2
MW (Da)
1.56
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Acne Vulgaris
ATC Classification
D10AB03
tioxolone
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
Activity Summary
IC50 6 meas. best 5.75
EC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.59 | 5.59 | 2590.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.11 | 5180.0 | 2 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 5.08 | 5.08 | 8330.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.02 | 5.02 | 9570.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 5.01 | 5.01 | 9770.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine