Compound Detail
CHEMBL4168598
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Basic Information
| ChEMBL ID | CHEMBL4168598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTKZPCDLOLLPPV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
3.02
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endoplasmin CHEMBL4748 | Kd | 7.7 | 7.7 | 20.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endoplasmin | Kd | = | 20.0 | nM | 7.7 | Displacement of FITC-GDA from recombinant canine Grp94 expressed in baculovirus ... | 29057043 |
| Heat shock protein HSP 90-alpha | Kd | = | 25.0 | nM | 7.6 | 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 |
Data from ChEMBL 36 via Core Engine