Compound Detail
CHEMBL1456035
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Basic Information
| ChEMBL ID | CHEMBL1456035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPPYVZSFUYPJIJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.6
MW (Da)
4.19
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.36 | 5.36 | 4360.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.02 | 5.02 | 9630.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.92 | 4.885 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4360.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 9630.0 | nM | 5.02 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 14200.0 | nM | 4.85 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
Data from ChEMBL 36 via Core Engine