Compound Detail
CHEMBL1587715
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Basic Information
| ChEMBL ID | CHEMBL1587715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFZMNRDZDHTFGX-VMPITWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.1
MW (Da)
4.89
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.58 | 5.58 | 2632.4 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.3 | 5.3 | 5024.0 | 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 | = | 2632.41 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| NS3 | IC50 | = | 5024.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30145375 | 10.1016/j.ejmech.2018.08.037 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine