Compound Detail
CHEMBL1531377
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Basic Information
| ChEMBL ID | CHEMBL1531377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBRKXUIFNNVLRE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
4.23
ALogP
5
HBA
1
HBD
56.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.82
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.82 | 6.145 | 15.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.48 | 5.48 | 3288.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 15.0 | nM | 7.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3288.81 | nM | 5.48 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 34142.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine