Compound Detail
CHEMBL1538244
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Basic Information
| ChEMBL ID | CHEMBL1538244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLQGZVKXLTWART-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
4.15
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.56 | 5.56 | 2744.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11720.0 | 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 | = | 2744.77 | nM | 5.56 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 11720.0 | nM | 4.93 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
Data from ChEMBL 36 via Core Engine