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Compound Detail

CHEMBL457039

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CSc1ccc(CC(C)NCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457039
Phase Preclinical
Structure Type MOL
InChI Key QEQAMHYLSSHHKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
4.13
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NS
MW 271.43
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
19243954 10.1016/j.bmc.2009.01.074 Amine oxidase [flavin-containing] A 1
19243954 10.1016/j.bmc.2009.01.074 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine