Compound Detail
CHEMBL4853988
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Basic Information
| ChEMBL ID | CHEMBL4853988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTFFKSRGYUMYQY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
2.18
ALogP
8
HBA
2
HBD
114.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein 75 kDa, mitochondrial CHEMBL1075132 | IC50 | 6.21 | 6.21 | 617.0 | 1 |
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 6.11 | 6.11 | 778.0 | 1 |
| Endoplasmin CHEMBL1075323 | IC50 | 5.97 | 5.97 | 1065.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein 75 kDa, mitochondrial | IC50 | = | 617.0 | nM | 6.21 | Inhibition of PU-H71-FITC3 binding to recombinant full length TRAP1 (unknown ori... | 34267888 |
| Heat shock protein HSP 90-alpha | IC50 | = | 778.0 | nM | 6.11 | Inhibition of PU-H71-FITC3 binding to recombinant N-terminal HSP90alpha (unknown... | 34267888 |
| Endoplasmin | IC50 | = | 1065.0 | nM | 5.97 | Inhibition of PU-H71-FITC3 binding to recombinant N-terminal Grp94 (unknown orig... | 34267888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267888 | 10.1021/acsmedchemlett.1c00213 | Unchecked | 2 |
| 34267888 | 10.1021/acsmedchemlett.1c00213 | Heat shock protein 75 kDa, mitochondrial | 1 |
| 34267888 | 10.1021/acsmedchemlett.1c00213 | Heat shock protein HSP 90-alpha | 1 |
| 34267888 | 10.1021/acsmedchemlett.1c00213 | Endoplasmin | 1 |
Data from ChEMBL 36 via Core Engine