Compound Detail
CHEMBL153068
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 | CHEMBL153068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJYFIYOHHYIOMA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
179.1
MW (Da)
-0.23
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.34 | 6.34 | 458.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.07 | 6.07 | 845.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 458.0 | nM | 6.34 | Inhibitory activity against human carbonic anhydrase IX. | 14640555 |
| Carbonic anhydrase 2 | Ki | = | 845.0 | nM | 6.07 | Inhibitory activity against human carbonic anhydrase II. | 14640555 |
| Carbonic anhydrase 1 | Ki | = | 7800.0 | nM | 5.11 | Inhibitory activity against human carbonic anhydrase I. | 14640555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 1 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 2 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 9 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrases; II & IX | 1 |
Data from ChEMBL 36 via Core Engine