Compound Detail
CHEMBL1087027
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Basic Information
| ChEMBL ID | CHEMBL1087027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKYUTKLCEVEMIE-JXFKEZNVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.22
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.71 | 4.71 | 19500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 19500.0 | nM | 4.71 | Inhibition of human recombinant PTP1B assessed as p-nitrophenol production | 19836230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19836230 | 10.1016/j.bmcl.2009.09.108 | MCF7 | 3 |
| 19836230 | 10.1016/j.bmcl.2009.09.108 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 19836230 | 10.1016/j.bmcl.2009.09.108 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine