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Compound Detail

CHEMBL381036

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c1cc(N2CCCC2)ccc1-c1cn2c3c(sc2n1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381036
Phase Preclinical
Structure Type MOL
InChI Key NFINVLINPRLGHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.5
MW (Da)
4.54
ALogP
4
HBA
0
HBD
20.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3S
MW 323.47
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.94

Literature References

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

Data from ChEMBL 36 via Core Engine