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Compound Detail

CHEMBL5967788

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CNS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n([C@@H]4CCC[C@@H]4C)c3n2)CC1

Basic Information

ChEMBL ID CHEMBL5967788
Phase Preclinical
Structure Type MOL
InChI Key GUEPFDCFQSHVSY-XJKSGUPXSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
1.49
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N6O3S
MW 420.54
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

Ki 6 meas. best 10.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
Ki 10.05 10.05 0.1 3
CDK6/cyclin D1
CHEMBL2111455
Ki 9.09 9.09 0.8 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine