Compound Detail
CHEMBL1435948
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Basic Information
| ChEMBL ID | CHEMBL1435948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEAXMWABSKJMTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
1.37
ALogP
6
HBA
0
HBD
85.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.45 | 5.45 | 3515.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.24 | 5.24 | 5820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3515.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 5820.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
Data from ChEMBL 36 via Core Engine