Compound Detail
CHEMBL1415172
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
Basic Information
| ChEMBL ID | CHEMBL1415172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZZKHBAIOKVFPR-QGOAFFKASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
4.06
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.07 | 5.07 | 8550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.51 | 4.485 | 30800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein GLI1 | IC50 | = | 8550.0 | nM | 5.07 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | IC50 | = | 30800.0 | nM | 4.51 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 34410.0 | nM | 4.46 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine