Compound Detail
CHEMBL1543258
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
CC1C(OC(=O)CCC(=O)NC(C)(C)CO)O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC1C24OO3
Basic Information
| ChEMBL ID | CHEMBL1543258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQUKZDZVFSIJPC-IFHAOTGOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
2.40
ALogP
8
HBA
2
HBD
112.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 6.43 | 6.43 | 368.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 368.0 | nM | 6.43 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Data from ChEMBL 36 via Core Engine