Compound Detail
CHEMBL5209851
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C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5209851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFDYQYPQNIBMER-JYIPIEKWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1292.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin CHEMBL1075163 | Kd | 6.77 | 6.77 | 170.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase haspin | Kd | = | 170.0 | nM | 6.77 | Binding affinity to N-terminal his6-tagged human recombinant Haspin (470 to 798 ... | 33730624 |
| Unchecked | Kd | = | 1600.0 | nM | 5.8 | Binding affinity to full length human recombinant PKAc assessed as dissociation ... | 33730624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33730624 | 10.1016/j.ejmech.2021.113318 | Unchecked | 2 |
| 33730624 | 10.1016/j.ejmech.2021.113318 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine