Compound Detail
CHEMBL336554
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Basic Information
| ChEMBL ID | CHEMBL336554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNUQKDFZLNFKST-DKWTVANSSA-N |
| Parent Compound | CHEMBL1184163 |
| Active Moiety | CHEMBL1184163 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
-1.53
ALogP
7
HBA
3
HBD
141.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL2096971 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | IC50 | = | 9.0 | nM | 8.05 | In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80266-8 | Carbonic anhydrase | 1 |
| - | 10.1016/S0960-894X(00)80266-8 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine