Compound Detail
CHEMBL3115916
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Basic Information
| ChEMBL ID | CHEMBL3115916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQVYWCCDLAHPNJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.7
MW (Da)
2.88
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 5.57 | 4.87 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of full-length 6His/GST-tagged recombinant human CDC25B using OMFP as... | 37874947 |
| GroEL/GroES | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alph... | 24418775 |
| GroEL/GroES | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escheric... | 24418775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24418775 | 10.1016/j.bmcl.2013.12.100 | GroEL/GroES | 2 |
| 24418775 | 10.1016/j.bmcl.2013.12.100 | Unchecked | 1 |
| 37874947 | 10.1021/acs.jmedchem.3c01277 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine