Compound Detail
CHEMBL1468800
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Basic Information
| ChEMBL ID | CHEMBL1468800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMEDTSNKTYMQLG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.9
MW (Da)
4.65
ALogP
6
HBA
3
HBD
104.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.76 | 5.47 | 1742.0 | 3 |
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 | = | 1742.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FIT... | 23993674 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 9354.86 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993674 | 10.1016/j.bmc.2013.08.017 | Unchecked | 1 |
| 23993674 | 10.1016/j.bmc.2013.08.017 | Bcl-2-like protein 1 | 1 |
| 23993674 | 10.1016/j.bmc.2013.08.017 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine