Compound Detail
CHEMBL4864481
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N=C1C(=O)N(CCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(-c3ccccc3)sc21
Basic Information
| ChEMBL ID | CHEMBL4864481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPQGVVMSPGPEKY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.7
MW (Da)
5.27
ALogP
5
HBA
2
HBD
90.3
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 1920.0 | nM | 5.72 | Inhibition of recombinant human PTP4A3 | 34089839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34089839 | 10.1016/j.bmcl.2021.128167 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine