Compound Detail
CHEMBL4172951
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 | CHEMBL4172951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJFDUCBISHYGPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.8
MW (Da)
4.50
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmin CHEMBL4748 | Kd | 7.22 | 7.22 | 60.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmin | Kd | = | 60.0 | nM | 7.22 | Displacement of FITC-GDA from recombinant canine Grp94 expressed in baculovirus ... | 29057043 |
| Heat shock protein HSP 90-alpha | Kd | = | 200.0 | nM | 6.7 | Displacement of FITC-GDA from Hsp90alpha (unknown origin) after 24 hrs by fluore... | 29057043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29057043 | 10.1021/acsmedchemlett.7b00193 | Endoplasmin | 1 |
| 29057043 | 10.1021/acsmedchemlett.7b00193 | Heat shock protein HSP 90-alpha | 1 |
| 29057043 | 10.1021/acsmedchemlett.7b00193 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine