Compound Detail
CHEMBL259355
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Basic Information
| ChEMBL ID | CHEMBL259355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIUPYBFUPLMRLH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.97
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.38 | 5.465 | 420.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.42 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 420.0 | nM | 6.38 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of malate dehydrogenase | 18333608 |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 28000.0 | nM | 4.55 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Unchecked | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of beta-lactamase AmpC | 18333608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18333608 | 10.1021/jm701500e | Unchecked | 6 |
| 18333608 | 10.1021/jm701500e | Cruzipain | 2 |
Data from ChEMBL 36 via Core Engine