Compound Detail
CHEMBL1235452
SULFUR 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1235452 |
| Name | SULFUR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JLQNHALFVCURHW-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
27
Known Names
2
Indications
Molecular Properties
256.5
MW (Da)
5.19
ALogP
8
HBA
0
HBD
0.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Achiral |
Indications
Acne Vulgaris Pruritus
ATC Classification
D10AB02
sulfur
Level 1: DERMATOLOGICALS
Level 2: ANTI-ACNE PREPARATIONS
D11AC08
sulfur compounds
Level 1: DERMATOLOGICALS
Level 2: OTHER DERMATOLOGICAL PREPARATIONS
Activity Summary
Ki 5 meas. best 6.22
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 600.0 | nM | 6.22 | Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay | 21208801 |
| Carbonic anhydrase 2 | Ki | = | 40000.0 | nM | 4.4 | Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay | 21208801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2012.06.009 | Podosphaera xanthii | 10 |
| - | 10.1016/j.cropro.2012.06.009 | Lagenaria siceraria | 2 |
| - | 10.1016/j.cropro.2012.06.009 | Cucurbita maxima x Cucurbita moschata | 2 |
| 21208801 | 10.1016/j.bmcl.2010.11.124 | Carbonic anhydrase 1 | 1 |
| 21208801 | 10.1016/j.bmcl.2010.11.124 | Carbonic anhydrase 2 | 1 |
| 21208801 | 10.1016/j.bmcl.2010.11.124 | Carbonic anhydrase 6 | 1 |
| 21208801 | 10.1016/j.bmcl.2010.11.124 | Alpha carbonic anhydrase | 1 |
| 21208801 | 10.1016/j.bmcl.2010.11.124 | Carbonic anhydrase | 1 |
| 25431645 | 10.1039/c4md00180j | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine