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Compound Detail

CHEMBL5761564

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C=CCn1c(=O)c2cnc(Nc3ccc(Cl)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5761564
Phase Preclinical
Structure Type MOL
InChI Key UKZXGJOOEKBSNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
3.92
ALogP
9
HBA
1
HBD
107.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClN7O2S
MW 469.96
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Wee1-like protein kinase
CHEMBL5491
 IC50 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Wee1-like protein kinase IC50 = 0.3 nM 9.52 Kinase Activity Assay: All reactions took place in 60 μL volumes in reaction buf... -

Data from ChEMBL 36 via Core Engine