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Compound Detail

CHEMBL194638

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Cc1ccc(C(=O)Cn2c(=N)sc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194638
Phase Preclinical
Structure Type MOL
InChI Key QCPZLLWTZSBQAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.37
ALogP
4
HBA
1
HBD
45.9
PSA (Ų)
0.74
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 C16H14N2OS
MW 282.37
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.42

Literature References

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

Data from ChEMBL 36 via Core Engine