Compound Detail
CHEMBL1364584
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Basic Information
| ChEMBL ID | CHEMBL1364584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBEAFECLSJNFGP-XEXQVEHGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.52 | 5.52 | 3022.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8070.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 4.59 | 4.59 | 25873.0 | 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 | = | 3022.28 | nM | 5.52 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 8070.0 | nM | 5.09 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| NS3 | IC50 | = | 25873.0 | nM | 4.59 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine