Compound Detail
CHEMBL1502394
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Basic Information
| ChEMBL ID | CHEMBL1502394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQRSZYHVVUHFRF-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
0.80
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.56
EC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mothers against decapentaplegic homolog 3 CHEMBL1293258 | IC50 | 5.56 | 5.56 | 2729.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.1 | 5.1 | 8009.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mothers against decapentaplegic homolog 3 | IC50 | = | 2729.0 | nM | 5.56 | PUBCHEM_BIOASSAY: SMAD Transcription Factor Inhibitors Dose Response Confirmatio... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 8009.0 | nM | 5.1 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Protein RecA | EC50 | = | 11500.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 13100.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 19800.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
Data from ChEMBL 36 via Core Engine