Compound Detail
CHEMBL550291
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Basic Information
| ChEMBL ID | CHEMBL550291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIFVKFNQJLVAOD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.79
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.16 | 5.16 | 6860.0 | 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 | = | 6860.0 | nM | 5.16 | Inhibition of PTP1B | 19362837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19362837 | 10.1016/j.bmcl.2009.03.108 | Tyrosine-protein phosphatase non-receptor type 1 | 3 |
| 28079378 | 10.1021/acs.jnatprod.6b00831 | Porphyromonas gingivalis | 2 |
| 28079378 | 10.1021/acs.jnatprod.6b00831 | Streptococcus mutans | 2 |
| 28079378 | 10.1021/acs.jnatprod.6b00831 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine