Compound Detail
CHEMBL1387923
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Basic Information
| ChEMBL ID | CHEMBL1387923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAUBPIYCKFHHSE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
3.90
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.51 | 5.51 | 3121.4 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.44 | 5.44 | 3623.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.29 | 5.29 | 5144.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.1 | 5.1 | 8004.0 | 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 | = | 3121.42 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 3623.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 5144.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 8004.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine