Compound Detail
CHEMBL1309448
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 | CHEMBL1309448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOBHPMQFFUSAAV-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.0
MW (Da)
5.17
ALogP
3
HBA
2
HBD
48.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.04 | 5.04 | 9130.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.84 | 4.84 | 14344.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.64 | 4.64 | 22758.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA damage-inducible transcript 3 protein | IC50 | = | 9130.0 | nM | 5.04 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| X-box-binding protein 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Insulin-degrading enzyme | EC50 | = | 14344.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| HEK293 | IC50 | = | 22758.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
Data from ChEMBL 36 via Core Engine