Compound Detail
CHEMBL5279123
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CN1CCN(C2CCN(c3ccc(Nc4ncc5cc(C6CC6)n(-c6cccc(N=S(C)(C)=O)n6)c5n4)cc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5279123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGOIZEJUXOVDTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
599.8
MW (Da)
5.01
ALogP
10
HBA
1
HBD
94.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 6.81 | 6.81 | 156.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 2.54 | nM | 8.6 | Inhibition of Wee1 (unknown origin) incubated for 60 mins by LanthaScreen Eu-Kin... | 36075370 |
| NCI-H1299 | IC50 | = | 156.0 | nM | 6.81 | 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