Compound Detail
CHEMBL1095107
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CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O
Basic Information
| ChEMBL ID | CHEMBL1095107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKGVGYNAICHRDY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
7.56
ALogP
6
HBA
1
HBD
126.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of CDC25B | 20363629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20363629 | 10.1016/j.bmcl.2010.03.040 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine