Compound Detail
CHEMBL1585740
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Basic Information
| ChEMBL ID | CHEMBL1585740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNWNYZDNRAAMSU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
0.59
ALogP
5
HBA
1
HBD
88.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.04 | 5.04 | 9102.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.01 | 5.01 | 9720.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 9102.0 | nM | 5.04 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 9720.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 11500.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
Data from ChEMBL 36 via Core Engine