Compound Detail
CHEMBL1524921
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Basic Information
| ChEMBL ID | CHEMBL1524921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDFIOFKDADNBDN-BQYQJAHWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
66.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.74
IC50 2 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.87 | 6.87 | 135.7 | 1 |
| BJ CHEMBL614358 | EC50 | 6.74 | 6.285 | 181.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.56 | 6.56 | 278.0 | 1 |
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 5.84 | 5.84 | 1432.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 135.67 | nM | 6.87 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| BJ | EC50 | = | 181.0 | nM | 6.74 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 278.0 | nM | 6.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Nuclear receptor subfamily 0 group B member 1 | IC50 | = | 1432.0 | nM | 5.84 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| BJ | EC50 | = | 1480.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
Data from ChEMBL 36 via Core Engine