Compound Detail
CHEMBL1400379
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Basic Information
| ChEMBL ID | CHEMBL1400379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYUXOHIOPIWDOF-XFXZXTDPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.76
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 5.575 | 211.0 | 2 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.67 | 5.67 | 2116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 211.0 | nM | 6.68 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 2116.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | IC50 | = | 34200.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
Data from ChEMBL 36 via Core Engine