Compound Detail
CHEMBL5574055
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C#Cc1cn([C@@H]2S[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c2ncnc(N)c12
Basic Information
| ChEMBL ID | CHEMBL5574055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHBKCPSDMWHHLZ-QYVSTXNMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
0.64
ALogP
8
HBA
3
HBD
145.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 9.81 | 9.81 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | IC50 | = | 0.155 | nM | 9.81 | Inhibition of recombinant human N-terminal GST-tagged haspin (470 to end residue... | 39038808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39038808 | 10.1021/acs.jmedchem.4c00718 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine