Compound Detail
CHEMBL1429289
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Basic Information
| ChEMBL ID | CHEMBL1429289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQMWNFVGUSUQIP-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.22
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.23
IC50 2 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.1 | 5.1 | 7910.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.23 | 4.165 | 58838.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 2220.0 | nM | 5.65 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| COUP transcription factor 2 | IC50 | = | 7910.0 | nM | 5.1 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 58838.0 | nM | 4.23 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 79456.0 | nM | 4.1 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine