Compound Detail
CHEMBL4086544
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Basic Information
| ChEMBL ID | CHEMBL4086544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPNKPPFPAOEANQ-FPLPWBNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
6.63
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.75 | 5.75 | 1800.0 | 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 | = | 1800.0 | nM | 5.75 | Inhibition of GST-tagged PTP1B (1 to 321 residues) (unknown origin) using p-NPP ... | 28134521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28134521 | 10.1021/acs.jnatprod.6b01073 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine