Compound Detail
CHEMBL1592276
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Basic Information
| ChEMBL ID | CHEMBL1592276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBYHDIQLFOIFMC-OUKQBFOZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.01
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.46 | 5.46 | 3455.0 | 1 |
| Genome polyprotein CHEMBL1293305 | IC50 | 4.78 | 4.78 | 16734.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.6 | 4.6 | 25257.0 | 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 | = | 3455.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Genome polyprotein | IC50 | = | 16734.0 | nM | 4.78 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high-throughput dose response assay ... | - |
| Bcl-2-like protein 1 | IC50 | = | 25257.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
Data from ChEMBL 36 via Core Engine