Compound Detail
CHEMBL1453181
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Basic Information
| ChEMBL ID | CHEMBL1453181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHQDGDMVFGTXLC-QGOAFFKASA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.32
ALogP
5
HBA
2
HBD
69.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 5.45 | 160.0 | 3 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.49 | 5.49 | 3234.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 160.0 | nM | 6.8 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 3234.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Unchecked | IC50 | = | 14141.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do... | - |
| Unchecked | IC50 | = | 19800.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
Data from ChEMBL 36 via Core Engine