Compound Detail
CHEMBL463947
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Basic Information
| ChEMBL ID | CHEMBL463947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAQLCZKPJGMFRM-BJKOFHAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.79
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.12 | 4.12 | 75100.0 | 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 | = | 75100.0 | nM | 4.12 | Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate | 24047800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7381508 | 10.1021/np50008a004 | Staphylococcus aureus | 1 |
| 7381508 | 10.1021/np50008a004 | Escherichia coli | 1 |
| 7381508 | 10.1021/np50008a004 | Salmonella enterica subsp. enterica serovar Gallinarum | 1 |
| 7381508 | 10.1021/np50008a004 | Klebsiella pneumoniae | 1 |
| 7381508 | 10.1021/np50008a004 | Mycolicibacterium smegmatis | 1 |
| 7381508 | 10.1021/np50008a004 | Candida albicans | 1 |
| 24047800 | 10.1016/j.bmcl.2013.08.102 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine