Compound Detail
CHEMBL1305391
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Basic Information
| ChEMBL ID | CHEMBL1305391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTVKEYJYFWVVFS-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.14
ALogP
6
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.89 | 5.89 | 1290.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 5.07 | 5.07 | 8499.2 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.84 | 4.84 | 14459.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.39 | 4.39 | 40800.0 | 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 | = | 1290.0 | nM | 5.89 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 8499.2 | nM | 5.07 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Bcl-2-related protein A1 | IC50 | = | 14459.0 | nM | 4.84 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
| Bcl-2-related protein A1 | IC50 | = | 14500.0 | nM | 4.84 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 17500.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 40800.0 | nM | 4.39 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine