Compound Detail
CHEMBL1580974
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Basic Information
| ChEMBL ID | CHEMBL1580974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBGUAUZZMLDYFF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.43
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2910.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.25 | 5.25 | 5674.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2910.0 | nM | 5.54 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 5674.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 activation. (C... | - |
Data from ChEMBL 36 via Core Engine