Compound Detail
CHEMBL1611369
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Basic Information
| ChEMBL ID | CHEMBL1611369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBXVNDSEBKOOPL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
90.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.18
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.32 | 5.245 | 4747.0 | 2 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.23 | 5.23 | 5847.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 660.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| HEK293 | EC50 | = | 1100.0 | nM | 5.96 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 4747.0 | nM | 5.32 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| COUP transcription factor 2 | IC50 | = | 5847.0 | nM | 5.23 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| HEK293 | IC50 | = | 6821.0 | nM | 5.17 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine