Compound Detail
CHEMBL1488229
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Basic Information
| ChEMBL ID | CHEMBL1488229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKJJPENOGQVARC-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.15
ALogP
5
HBA
1
HBD
85.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
EC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.16 | 5.53 | 700.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.2 | 5.0433 | 6277.0 | 3 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 4.82 | 4.82 | 15161.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 4120.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | EC50 | = | 6277.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 7966.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 8980.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | EC50 | = | 14972.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 15161.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine