Compound Detail
CHEMBL1964407
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Basic Information
| ChEMBL ID | CHEMBL1964407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPCTBYNLWBREY-CSKARUKUSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.81
ALogP
5
HBA
2
HBD
66.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.57 | 1574.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.98 | 4.98 | 10475.1 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 4.93 | 4.72 | 11800.0 | 2 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1574.0 | nM | 5.8 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 4609.0 | nM | 5.34 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 10475.07 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Hexokinase HKDC1 | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Hexokinase HKDC1 | IC50 | = | 30900.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| C-C chemokine receptor type 6 | IC50 | = | 33300.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine