Compound Detail
CHEMBL332036
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 | CHEMBL332036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVZJAPUDDDBSCR-MYLZYLCNSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
306.5
MW (Da)
5.68
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.26 | 5.0125 | 5500.0 | 4 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.23 | 5.165 | 5900.0 | 2 |
| SBC-5 CHEMBL614896 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | IC50 | = | 5500.0 | nM | 5.26 | Concentration required to inhibit human Cell division cycle 25A activity | 15149692 |
| M-phase inducer phosphatase 2 | IC50 | = | 5900.0 | nM | 5.23 | Inhibitory concentration against dual-specificity phosphatase Cell division cycl... | 15261298 |
| M-phase inducer phosphatase 1 | IC50 | = | 7700.0 | nM | 5.11 | Concentration required for the inhibitory activity against human Cell division c... | 10762037 |
| M-phase inducer phosphatase 2 | IC50 | = | 8000.0 | nM | 5.1 | Concentration required to inhibit human Cell division cycle 25B activity | 15149692 |
| M-phase inducer phosphatase 1 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human Cdc25A phosphatase activity | 18442908 |
| M-phase inducer phosphatase 1 | IC50 | = | 17200.0 | nM | 4.76 | Inhibitory concentration against dual-specificity phosphatase Cell division cycl... | 15261298 |
| SBC-5 | IC50 | = | 47000.0 | nM | 4.33 | Inhibitory concentration required for antitumor activity against SBC-5 cells | 10762037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149692 | 10.1016/j.bmcl.2004.03.100 | M-phase inducer phosphatase 1 | 1 |
| 15149692 | 10.1016/j.bmcl.2004.03.100 | M-phase inducer phosphatase 2 | 1 |
| 10762037 | 10.1016/s0960-894x(00)00065-2 | M-phase inducer phosphatase 1 | 1 |
| 10762037 | 10.1016/s0960-894x(00)00065-2 | SBC-5 | 1 |
| 15261298 | 10.1016/j.bmcl.2004.05.083 | M-phase inducer phosphatase 1 | 1 |
| 15261298 | 10.1016/j.bmcl.2004.05.083 | M-phase inducer phosphatase 2 | 1 |
| 18442908 | 10.1016/j.bmcl.2008.04.027 | M-phase inducer phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine