Compound Detail
CHEMBL1495292
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Basic Information
| ChEMBL ID | CHEMBL1495292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAAVSCXRLGPDAW-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.68
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.55
EC50 2 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
| Oxytocin receptor CHEMBL2049 | EC50 | 4.56 | 4.56 | 27366.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.41 | 4.41 | 39290.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.23 | 4.15 | 59180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 2790.0 | nM | 5.55 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Oxytocin receptor | EC50 | = | 27366.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 39290.0 | nM | 4.41 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 59180.0 | nM | 4.23 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 84480.0 | nM | 4.07 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine