Compound Detail
CHEMBL1567944
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CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.O
Basic Information
| ChEMBL ID | CHEMBL1567944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUAVTILJYYPSGE-KIYOUXAASA-N |
| Parent Compound | CHEMBL1624688 |
| Active Moiety | CHEMBL1624688 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.94
ALogP
6
HBA
1
HBD
52.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 6.68 | 6.68 | 208.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COUP transcription factor 2 | IC50 | = | 208.53 | nM | 6.68 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 330.0 | nM | 6.48 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... | - |
| Jurkat | IC50 | = | 890.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... | - |
Data from ChEMBL 36 via Core Engine