Compound Detail
CHEMBL1096042
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Basic Information
| ChEMBL ID | CHEMBL1096042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJAJWCHANQMLIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
1.30
ALogP
7
HBA
1
HBD
135.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 4.5 | 4.5 | 31900.0 | 1 |
| Exportin-1 CHEMBL5661 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 31900.0 | nM | 4.5 | Inhibition of CDC25B | 20363629 |
| Exportin-1 | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expr... | 32585100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32585100 | 10.1021/acs.jmedchem.0c00143 | Exportin-1 | 4 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | M-phase inducer phosphatase 2 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 20363629 | 10.1016/j.bmcl.2010.03.040 | Receptor-type tyrosine-protein phosphatase F | 1 |
Data from ChEMBL 36 via Core Engine