Compound Detail
CHEMBL2408560
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 | CHEMBL2408560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPMZPBIRIUZHLT-CYVLTUHYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.82
ALogP
7
HBA
2
HBD
106.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.68
IC50 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.68 | 7.68 | 20.9 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.67 | 4.67 | 21200.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL2406894 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.54 | 4.54 | 28810.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.41 | 4.41 | 39050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 20.93 | nM | 7.68 | Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as... | 25912674 |
| Carbonic anhydrase 12 | Ki | = | 62.02 | nM | 7.21 | Inhibition of human membrane associated form of carbonic anhydrase-12 assessed a... | 25912674 |
| Intestinal-type alkaline phosphatase | Ki | = | 410.0 | nM | 6.39 | Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate tr... | 23831808 |
| Unchecked | Ki | = | 21200.0 | nM | 4.67 | Inhibition of porcine kidney intestinal alkaline phosphatase using p-NPP as subs... | 23831808 |
| Alkaline phosphatase, tissue-nonspecific isozyme | Ki | = | 22000.0 | nM | 4.66 | Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as subst... | 23831808 |
| MCF7 | IC50 | = | 28810.0 | nM | 4.54 | Cytotoxicity against human MCF7 cells after 72 hrs by sulforhodamine B assay | 25912674 |
| A549 | IC50 | = | 39050.0 | nM | 4.41 | Cytotoxicity against human A549 cells after 72 hrs by sulforhodamine B assay | 25912674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23831808 | 10.1016/j.ejmech.2013.06.015 | 5'-nucleotidase | 1 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | Unchecked | 1 |
| 23831808 | 10.1016/j.ejmech.2013.06.015 | Intestinal-type alkaline phosphatase | 1 |
| 25912674 | 10.1016/j.ejmech.2015.04.033 | Carbonic anhydrase 1 | 1 |
| 25912674 | 10.1016/j.ejmech.2015.04.033 | A549 | 1 |
| 25912674 | 10.1016/j.ejmech.2015.04.033 | MCF7 | 1 |
| 25912674 | 10.1016/j.ejmech.2015.04.033 | Carbonic anhydrase 2 | 1 |
| 25912674 | 10.1016/j.ejmech.2015.04.033 | Carbonic anhydrase 9 | 1 |
| 25912674 | 10.1016/j.ejmech.2015.04.033 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine