Compound Detail
CHEMBL48396
ACEDIASULFONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL48396 |
| Name | ACEDIASULFONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FKKUMFTYSTZUJG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
2
Known Names
Molecular Properties
306.3
MW (Da)
1.60
ALogP
5
HBA
3
HBD
109.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.09 | 5.6225 | 820.0 | 4 |
| Dihydropteroate synthetase, putative CHEMBL1741265 | IC50 | 4.75 | 4.75 | 17770.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 820.0 | nM | 6.09 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu... | 14695838 |
| Unchecked | IC50 | = | 870.0 | nM | 6.06 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu... | 14695838 |
| Unchecked | IC50 | = | 1220.0 | nM | 5.91 | Inhibitory activity against dihydropteroic acid synthase (SYN) from candida albi... | 14695838 |
| Dihydropteroate synthetase, putative | IC50 | = | 17770.0 | nM | 4.75 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium b... | 14695838 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Aldose reductase (AR) | 11356107 |
| Unchecked | IC50 | = | 37050.0 | nM | 4.43 | Inhibitory activity against dihydropteroic acid synthase (SYN) from Escherichia ... | 14695838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356107 | 10.1021/jm000483h | Aldo-keto reductase family 1 member B1 | 5 |
| 14695838 | 10.1021/jm030931w | Unchecked | 4 |
| 31103404 | 10.1016/j.bmc.2019.04.032 | Mycolicibacterium smegmatis | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 14695838 | 10.1021/jm030931w | Dihydropteroate synthetase, putative | 1 |
| 3572979 | 10.1021/jm00388a026 | Unchecked | 1 |
| 20006515 | 10.1016/j.bmc.2009.11.050 | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 20006515 | 10.1016/j.bmc.2009.11.050 | DNA (cytosine-5)-methyltransferase 3B | 1 |
Data from ChEMBL 36 via Core Engine