Compound Detail
CHEMBL3822603
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Nc1ncnc2c1nc(NCc1ccc(F)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3822603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIVKXJACYNVLOA-XNIJJKJLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
-0.23
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock cognate 71 kDa protein CHEMBL1275223 | Kd | 6.34 | 6.34 | 457.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock cognate 71 kDa protein | Kd | = | 457.09 | nM | 6.34 | Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysi... | 27119979 |
| Heat shock cognate 71 kDa protein | Kd | = | 460.0 | nM | 6.34 | Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysi... | 27119979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27119979 | 10.1021/acs.jmedchem.5b02001 | Heat shock cognate 71 kDa protein | 2 |
Data from ChEMBL 36 via Core Engine