Compound Detail
CHEMBL4166329
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Basic Information
| ChEMBL ID | CHEMBL4166329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQUFGUOGYICIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.54
ALogP
6
HBA
1
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmin CHEMBL1075323 | IC50 | 4.93 | 4.93 | 11770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmin | IC50 | = | 11770.0 | nM | 4.93 | Binding affinity to GRP94 N-domain (unknown origin) | 30351001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30351001 | 10.1021/acs.jmedchem.8b00800 | Endoplasmin | 1 |
| 30351001 | 10.1021/acs.jmedchem.8b00800 | Heat shock protein HSP 90-alpha | 1 |
| 30351001 | 10.1021/acs.jmedchem.8b00800 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine