Compound Detail
CHEMBL5279737
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CN1CCN(C2CCN(c3ccc(Nc4ncc5cc(C6CC6)n(-c6cccc(C(C)(C)O)n6)c5n4)cc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5279737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXNXXWSBKNTVFP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.8
MW (Da)
4.88
ALogP
9
HBA
2
HBD
85.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 8.88 | 8.88 | 1.3 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 1.33 | nM | 8.88 | Inhibition of Wee1 (unknown origin) incubated for 60 mins by LanthaScreen Eu-Kin... | 36075370 |
| NCI-H1299 | IC50 | = | 105.0 | nM | 6.98 | Antiproliferative activity against human NCI-H1299 cells assessed as cell growth... | 36075370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36075370 | 10.1016/j.bmcl.2022.128973 | Wee1-like protein kinase | 1 |
| 36075370 | 10.1016/j.bmcl.2022.128973 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine