Compound Detail
CHEMBL1505221
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Basic Information
| ChEMBL ID | CHEMBL1505221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIDCTDHQEYBHHD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.2
MW (Da)
3.94
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.3033 | 3183.0 | 3 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.8 | 4.8 | 15855.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3183.0 | nM | 5.5 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 4700.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Unchecked | IC50 | = | 4640.0 | nM | 5.33 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 8290.0 | nM | 5.08 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| No relevant target | IC50 | = | 15855.0 | nM | 4.8 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
Data from ChEMBL 36 via Core Engine