Compound Detail
CHEMBL369953
PHENYLMETHANESULFONAMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL369953 |
| Name | PHENYLMETHANESULFONAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABOYDMHGKWRPFD-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
0.48
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.19
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL2283 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.19 | 6.19 | 645.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.9 | 5.9 | 1250.0 | 1 |
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | Ki | 5.8 | 5.8 | 1580.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of bovine carbonic anhydrase 2 | 29400967 |
| Carbonic anhydrase 2 | Ki | = | 645.0 | nM | 6.19 | Inhibition of recombinant human cytosolic isozyme CA II | 16203142 |
| Carbonic anhydrase 1 | Ki | = | 1250.0 | nM | 5.9 | Inhibition of recombinant human cytosolic isozyme CA I | 16203142 |
| Carbonic anhydrase 5A, mitochondrial | Ki | = | 1580.0 | nM | 5.8 | Inhibition of recombinant human mitochondrial isozyme CA VA | 16203142 |
| Carbonic anhydrase 9 | Ki | = | 9300.0 | nM | 5.03 | Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX | 16203142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16203142 | 10.1016/j.bmcl.2005.08.102 | Carbonic anhydrase 1 | 1 |
| 16203142 | 10.1016/j.bmcl.2005.08.102 | Carbonic anhydrase 2 | 1 |
| 16203142 | 10.1016/j.bmcl.2005.08.102 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 16203142 | 10.1016/j.bmcl.2005.08.102 | Carbonic anhydrase 9 | 1 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | No relevant target | 1 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine