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Compound Detail

CHEMBL469310

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CSc1ccc(CC(C)NCc2ccc(OCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469310
Phase Preclinical
Structure Type MOL
InChI Key DQUCJDUXQSMGCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.6
MW (Da)
5.71
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NOS
MW 377.55
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.94

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