Compound Detail
CHEMBL3809337
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Basic Information
| ChEMBL ID | CHEMBL3809337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZPLXDBZIQMMMT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.09
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.0 | 5.0 | 9900.0 | 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 | = | 5300.0 | nM | 5.28 | Inhibition of recombinant human PTP1B (1 to 321 residues) expressed in Escherich... | 32196343 |
| Acetylcholinesterase | IC50 | = | 9900.0 | nM | 5.0 | Inhibition AChE (unknown origin) using ATCI as substrate assessed as hydrolysis ... | 26841168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Acetylcholinesterase | 2 |
| 28835349 | 10.1016/j.bmc.2017.08.018 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine