Compound Detail
CHEMBL330950
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 | CHEMBL330950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJCGJVYGHHRTHL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
140.2
MW (Da)
-1.23
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 40.0 | nM | 7.4 | Inhibitory activity against human isoenzyme Carbonic anhydrase II | 11020282 |
| Carbonic anhydrase 4 | Ki | = | 290.0 | nM | 6.54 | Inhibitory activity against bCA -IV | 11020282 |
| Carbonic anhydrase 1 | Ki | = | 12000.0 | nM | 4.92 | Inhibitory activity against human isoenzyme Carbonic anhydrase I | 11020282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020282 | 10.1021/jm000027t | Interstitial collagenase | 1 |
| 11020282 | 10.1021/jm000027t | 72 kDa type IV collagenase | 1 |
| 11020282 | 10.1021/jm000027t | Neutrophil collagenase | 1 |
| 11020282 | 10.1021/jm000027t | Matrix metalloproteinase-9 | 1 |
| 11020282 | 10.1021/jm000027t | Collagenase | 1 |
| 11020282 | 10.1021/jm000027t | Carbonic anhydrase 1 | 1 |
| 11020282 | 10.1021/jm000027t | Carbonic anhydrase 2 | 1 |
| 11020282 | 10.1021/jm000027t | Carbonic anhydrase 4 | 1 |
Data from ChEMBL 36 via Core Engine