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Compound Detail

CHEMBL3237339

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CSc1ccc(C(c2c[nH]c3ccc(C#N)cc23)c2c[nH]c3ccc(C#N)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237339
Phase Preclinical
Structure Type MOL
InChI Key WYLJDCFBJCUONL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
6.29
ALogP
3
HBA
2
HBD
79.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18N4S
MW 418.53
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
24602903 10.1016/j.bmcl.2014.02.015 Beta-glucuronidase 1

Data from ChEMBL 36 via Core Engine