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Compound Detail

CHEMBL197575

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N=c1sc2ccccc2n1CC(=O)c1ccc(-c2ccc3ccccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197575
Phase Preclinical
Structure Type MOL
InChI Key HWKWCZMHUGPCPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.89
ALogP
4
HBA
1
HBD
45.9
PSA (Ų)
0.38
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 C25H18N2OS
MW 394.50
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
16190767 10.1021/jm0502034 Mus musculus 2

Data from ChEMBL 36 via Core Engine