Compound Detail
CHEMBL305268
METHANESULFONAMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL305268 |
| Name | METHANESULFONAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNQIVZYLYMDVSB-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
95.1
MW (Da)
-1.10
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.68
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL2283 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of bovine carbonic anhydrase 2 | 29400967 |
| Carbonic anhydrase 1 | Ki | = | 21000.0 | nM | 4.68 | Inhibitory constant against human Carbonic anhydrase I | 15837324 |
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | Inhibition of bovine carbonic anhydrase assessed as formation of p-nitrophenol f... | 21555223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Unchecked | 2 |
| 8340917 | 10.1021/jm00067a012 | ADMET | 1 |
| 8340917 | 10.1021/jm00067a012 | Carbonic anhydrase | 1 |
| 12061879 | 10.1021/jm0105833 | Carbonic anhydrase 2 | 1 |
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Carbonic anhydrase 1 | 1 |
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Carbonic anhydrase 2 | 1 |
| 21515050 | 10.1016/j.bmcl.2011.03.094 | No relevant target | 1 |
| 21555223 | 10.1016/j.bmc.2011.04.040 | Unchecked | 1 |
| 22739091 | 10.1016/j.bmc.2012.05.073 | No relevant target | 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