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Compound Detail

CHEMBL5270629

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O=c1c2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)cc2ncn1-c1c(Cl)cccc1Cl

Basic Information

ChEMBL ID CHEMBL5270629
Phase Preclinical
Structure Type MOL
InChI Key QNDLUSCGSBUDES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

507.4
MW (Da)
5.12
ALogP
7
HBA
1
HBD
66.3
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24Cl2N6O
MW 507.43
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Wee1-like protein kinase
CHEMBL5491
IC50 7.01 7.01 97.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37167712 10.1016/j.bmc.2023.117312 Wee1-like protein kinase 1

Data from ChEMBL 36 via Core Engine