Compound Detail
CHEMBL4442008
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Basic Information
| ChEMBL ID | CHEMBL4442008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXQCTPHKRIPNNE-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.25
ALogP
6
HBA
2
HBD
70.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| INS1 CHEMBL613545 | EC50 | 5.45 | 5.45 | 3560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| INS1 | EC50 | = | 3560.0 | nM | 5.45 | Protection against tunicamycin induced endoplasmic reticulum stress in rat INS-1... | 27505441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27505441 | 10.1021/acs.jmedchem.6b00041 | INS1 | 2 |
Data from ChEMBL 36 via Core Engine