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Compound Detail

CHEMBL408131

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Cc1cccc2c1NC(=O)/C2=C\Nc1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408131
Phase Preclinical
Structure Type MOL
InChI Key FDKGWFPRLJIXJY-ZROIWOOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.05
ALogP
4
HBA
3
HBD
101.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O3S
MW 329.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
15115396 10.1021/jm0304358 Cyclin-dependent kinase 2 1
11728181 10.1021/jm010117d Cyclin-dependent kinase 1 1
11728181 10.1021/jm010117d Cyclin-dependent kinase 2 1
18271520 10.1021/jm070654j Cyclin-dependent kinase 1 1
18271520 10.1021/jm070654j Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine