Compound Detail
CHEMBL91302
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 | CHEMBL91302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZURFRHLRWHHSIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
-0.75
ALogP
7
HBA
3
HBD
141.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL2096971 | IC50 | 6.43 | 6.395 | 370.0 | 2 |
| Carbonic anhydrase CHEMBL2095180 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | IC50 | = | 370.0 | nM | 6.43 | In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonat... | - |
| Carbonic anhydrase | IC50 | = | 440.0 | nM | 6.36 | Inhibition of Carbonic anhydrase enzyme in rabbits | 1635066 |
| Carbonic anhydrase | IC50 | = | 440.0 | nM | 6.36 | In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635066 | 10.1021/jm00092a021 | Oryctolagus cuniculus | 10 |
| - | 10.1016/S0960-894X(00)80266-8 | Carbonic anhydrase | 2 |
| 1635066 | 10.1021/jm00092a021 | No relevant target | 1 |
| 1635066 | 10.1021/jm00092a021 | Carbonic anhydrase | 1 |
| - | 10.1016/S0960-894X(00)80266-8 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine