Compound Detail
CHEMBL500348
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 | CHEMBL500348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSICNPWKJXVPBL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
0.30
ALogP
5
HBA
1
HBD
80.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Dual specificity protein phosphatase 1 CHEMBL5623 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.37 | 4.37 | 42600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 940.0 | nM | 6.03 | Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain express... | 19028102 |
| HL-60 | IC50 | = | 2550.0 | nM | 5.59 | Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay | 18835721 |
| A2780 | IC50 | = | 4300.0 | nM | 5.37 | Antiproliferative activity against human A2780 cells after 2 days by alamar-blue... | 19028102 |
| Dual specificity protein phosphatase 1 | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human He... | 19028102 |
| Dual specificity protein phosphatase 6 | IC50 | = | 42600.0 | nM | 4.37 | Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed i... | 19028102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835721 | 10.1016/j.bmc.2008.09.052 | Mus musculus | 5 |
| 30108843 | 10.1039/C7MD00090A | Beta-carbonic anhydrase 1 | 2 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | A2780 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | M-phase inducer phosphatase 2 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 1 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 6 | 1 |
| 18835721 | 10.1016/j.bmc.2008.09.052 | NON-PROTEIN TARGET | 1 |
| 18835721 | 10.1016/j.bmc.2008.09.052 | HL-60 | 1 |
| 30108843 | 10.1039/C7MD00090A | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine