Compound Detail
CHEMBL508412
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CN1CCN(CCCn2c3ccc(O)cc3c3c4c(c(-c5ccccc5Cl)cc32)C(=O)NC4=O)CC1
Basic Information
| ChEMBL ID | CHEMBL508412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAPHKUWLLIXGAD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.0
MW (Da)
4.34
ALogP
6
HBA
2
HBD
77.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.09 | 7.09 | 81.3 | 3 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphoryl... | 17869387 |
| Wee1-like protein kinase | IC50 | = | 81.28 | nM | 7.09 | Inhibition of human Wee1 | 18976834 |
| Wee1-like protein kinase | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human Wee1 | 18976834 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 830.0 | nM | 6.08 | Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot ... | 17869387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976834 | 10.1016/j.ejmech.2008.09.027 | Wee1-like protein kinase | 2 |
| 17869387 | 10.1016/j.ejmech.2007.07.016 | Wee1-like protein kinase | 1 |
| 17869387 | 10.1016/j.ejmech.2007.07.016 | Serine/threonine-protein kinase Chk1 | 1 |
| 17869387 | 10.1016/j.ejmech.2007.07.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine