Compound Detail
CHEMBL1706173
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
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL1706173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRDRLMCOSRRVKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.7
MW (Da)
3.56
ALogP
8
HBA
2
HBD
102.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 1600.0 | nM | 5.8 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine