Compound Detail
CHEMBL1903414
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
OC[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1
Basic Information
| ChEMBL ID | CHEMBL1903414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBWMWXJVCHRSAW-LOSJGSFVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.24
ALogP
8
HBA
2
HBD
88.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galanin receptor type 3 CHEMBL2731 | IC50 | 6.46 | 6.46 | 348.5 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.2 | 5.2 | 6276.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.27 | 4.27 | 53421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galanin receptor type 3 | IC50 | = | 348.52 | nM | 6.46 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| COUP transcription factor 2 | IC50 | = | 6276.0 | nM | 5.2 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Tegument protein VP16 | IC50 | = | 53421.0 | nM | 4.27 | PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescenc... | - |
Data from ChEMBL 36 via Core Engine