Compound Detail
CHEMBL1729151
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Basic Information
| ChEMBL ID | CHEMBL1729151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLNXYNZIEFQEEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
6.45
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.02 | 6.02 | 949.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 949.0 | nM | 6.02 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376584 | 10.1016/j.bmcl.2011.02.055 | A549 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | ASPC1 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | HT-29 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | MDA-MB-231 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | PC-3 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | SK-OV-3 | 1 |
| 21376584 | 10.1016/j.bmcl.2011.02.055 | U2OS | 1 |
Data from ChEMBL 36 via Core Engine