Compound Detail
CHEMBL1594376
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Basic Information
| ChEMBL ID | CHEMBL1594376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLYGJKUXWYDHLJ-WYMLVPIESA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
5.13
ALogP
7
HBA
2
HBD
103.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.91 | 5.91 | 1223.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 4.9933 | 1354.0 | 3 |
| NS3 CHEMBL1293269 | IC50 | 5.41 | 5.41 | 3908.0 | 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 | = | 1223.89 | nM | 5.91 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | IC50 | = | 1354.0 | nM | 5.87 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| NS3 | IC50 | = | 3908.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | IC50 | = | 13944.0 | nM | 4.86 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 56752.0 | nM | 4.25 | PubChem BioAssay. Fluorescence-based biochemical primary high throughput dose re... | - |
Data from ChEMBL 36 via Core Engine