Compound Detail
CHEMBL1443791
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Basic Information
| ChEMBL ID | CHEMBL1443791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWBOHXRTCMDHDI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
2.89
ALogP
7
HBA
2
HBD
86.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.07
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.95 | 5.95 | 1133.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.07 | 4.07 | 84977.0 | 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 | = | 1133.6 | nM | 5.95 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 84977.0 | nM | 4.07 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine