Compound Detail
CHEMBL1336211
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CCC(C)NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3
Basic Information
| ChEMBL ID | CHEMBL1336211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLEYTMCHSAVWTC-ODYDGNKYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.43
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 6.38 | 6.38 | 421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 421.0 | nM | 6.38 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Data from ChEMBL 36 via Core Engine