Compound Detail
CHEMBL1529554
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Cc1ccc(C(=O)O)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O
Basic Information
| ChEMBL ID | CHEMBL1529554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVGHJUYFIRTXJT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
3.65
ALogP
6
HBA
2
HBD
146.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.96 | 4.96 | 10923.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.83 | 4.75 | 14971.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 10923.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Dose Response confirmation of HTS hits from an HePTP Fluoresce... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 14971.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 21589.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Data from ChEMBL 36 via Core Engine