Compound Detail
CHEMBL1729353
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Basic Information
| ChEMBL ID | CHEMBL1729353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBYQESZTNWDYIO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.57
ALogP
6
HBA
2
HBD
91.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.36 | 6.14 | 436.0 | 2 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.27 | 5.27 | 5345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 190.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
| Unchecked | IC50 | = | 436.0 | nM | 6.36 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 5345.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine