Compound Detail
CHEMBL1561729
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Basic Information
| ChEMBL ID | CHEMBL1561729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSHMKHPXXGTLGA-QGOAFFKASA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.27
ALogP
4
HBA
2
HBD
91.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.54
EC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2849.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.46 | 5.46 | 3508.8 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.42 | 5.42 | 3830.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.15 | 4.15 | 71094.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2849.0 | nM | 5.54 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3508.79 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 3830.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Zinc finger protein mex-5 | EC50 | = | 71094.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine