Compound Detail
CHEMBL98253
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL98253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLUKQUGVTITNSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
4.00
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.2 | 4.2 | 63700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 420.0 | nM | 6.38 | Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetat... | 19231207 |
| Carbonic anhydrase 1 | Ki | = | 63700.0 | nM | 4.2 | Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetat... | 19231207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28415050 | 10.1016/j.ejmech.2017.03.061 | No relevant target | 4 |
| 16279782 | 10.1021/jm050567w | L1210 | 2 |
| 15165156 | 10.1021/np030369c | NON-PROTEIN TARGET | 2 |
| 9873651 | 10.1016/s0960-894x(98)00528-9 | Rattus norvegicus | 1 |
| 11575963 | 10.1021/np010138a | Radical scavenging activity | 1 |
| 19231207 | 10.1016/j.bmc.2009.01.067 | Carbonic anhydrase 1 | 1 |
| 19231207 | 10.1016/j.bmc.2009.01.067 | Carbonic anhydrase 2 | 1 |
| 21353727 | 10.1016/j.ejmech.2011.01.069 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine