Compound Detail
CHEMBL1991573
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Basic Information
| ChEMBL ID | CHEMBL1991573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHXPBZYKWITPFM-WOJGMQOQSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.42
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.76
EC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.76 | 5.76 | 1736.8 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.64 | 5.47 | 2270.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | EC50 | 5.02 | 5.02 | 9480.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 29200.0 | 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 | = | 1736.77 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 2270.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 4980.0 | nM | 5.3 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Apoptotic protease-activating factor 1 | EC50 | = | 9480.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS Activators of the Apaf-1 Pa... | - |
| Unchecked | IC50 | = | 29200.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35688005 | 10.1016/j.ejmech.2022.114508 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine