Compound Detail
CHEMBL1399711
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Basic Information
| ChEMBL ID | CHEMBL1399711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJQADEHMIMENRE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
3.81
ALogP
6
HBA
1
HBD
81.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.44 | 5.355 | 3600.0 | 4 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN CHEMBL2146312 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 2180.0 | nM | 5.66 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Bcl-2-related protein A1 | IC50 | = | 3600.0 | nM | 5.44 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| Bcl-2-related protein A1 | IC50 | = | 3850.0 | nM | 5.42 | PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay f... | - |
| Bcl-2-related protein A1 | IC50 | = | 4450.0 | nM | 5.35 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| Bcl-2-related protein A1 | IC50 | = | 6150.0 | nM | 5.21 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of WRN (unknown origin) | 38521175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38521175 | 10.1016/j.bmcl.2024.129711 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 1 |
Data from ChEMBL 36 via Core Engine