Compound Detail
CHEMBL1544647
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Basic Information
| ChEMBL ID | CHEMBL1544647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDBKSQZFDAPJNK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.0
MW (Da)
3.32
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 6.32 | 6.32 | 482.9 | 1 |
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 5.7 | 5.635 | 2000.0 | 2 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.42 | 5.42 | 3777.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 482.93 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| DNA repair protein RAD52 homolog | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of RAD52 (unknown origin) assessed as effect on ssDNA annealing using... | - |
| DNA repair protein RAD52 homolog | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of RAD52 (unknown origin) assessed as inhibition of DNA pairing using... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 3777.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 activation. (C... | - |
Data from ChEMBL 36 via Core Engine