Compound Detail
CHEMBL1307648
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Basic Information
| ChEMBL ID | CHEMBL1307648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJEUUIBKBPXGFF-UNOMPAQXSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
3.92
ALogP
5
HBA
0
HBD
65.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
EC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.93 | 4.93 | 11682.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.81 | 4.81 | 15508.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 4.32 | 4.32 | 48000.0 | 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 | = | 11682.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Bcl-2-like protein 1 | IC50 | = | 15508.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
| Endoribonuclease toxin MazF | EC50 | = | 48000.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
Data from ChEMBL 36 via Core Engine