Compound Detail
CHEMBL4638414
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Basic Information
| ChEMBL ID | CHEMBL4638414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEAIWNGAMDGGNB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.92
ALogP
5
HBA
2
HBD
72.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of alpha-Glucosidase (unknown origin) using pNPG as substrate incubat... | 32196343 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of recombinant human PTP1B (1 to 321 residues) expressed in Escherich... | 32196343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32196343 | 10.1021/acs.jnatprod.9b00262 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | Unchecked | 2 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine