Compound Detail
CHEMBL182440
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 | CHEMBL182440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOJJWDOZNKBUSR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
-0.62
ALogP
6
HBA
2
HBD
138.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.1
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 8.0 | 8.0 | 10.1 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.84 | 6.84 | 145.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 8.0 | nM | 8.1 | Inhibitory activity against cytosolic human carbonic anhydrase II | 15664816 |
| Carbonic anhydrase 9 | Ki | = | 10.1 | nM | 8.0 | Inhibitory activity against membrane bound tumor associated human carbonic anhyd... | 15664816 |
| Carbonic anhydrase 1 | Ki | = | 145.0 | nM | 6.84 | Inhibitory activity against cytosolic human carbonic anhydrase I | 15664816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 15664816 | 10.1016/j.bmcl.2004.11.058 | Carbonic anhydrase 1 | 1 |
| 15664816 | 10.1016/j.bmcl.2004.11.058 | Carbonic anhydrase 2 | 1 |
| 15664816 | 10.1016/j.bmcl.2004.11.058 | Carbonic anhydrase 9 | 1 |
| 15664816 | 10.1016/j.bmcl.2004.11.058 | Carbonic anhydrases; II & IX | 1 |
| 15481972 | 10.1021/jm049934e | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine