Compound Detail
CHEMBL1354188
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Basic Information
| ChEMBL ID | CHEMBL1354188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PALXEUVWNGHGKV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.2
MW (Da)
4.61
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4717.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.32 | 5.32 | 4757.1 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.7 | 4.7 | 19953.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4717.0 | nM | 5.33 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4757.12 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 19953.0 | nM | 4.7 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM10: QFRET-based bi... | - |
Data from ChEMBL 36 via Core Engine