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Compound Detail

CHEMBL3827431

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CN1CCC(OC2c3ccccc3Sc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827431
Phase Preclinical
Structure Type MOL
InChI Key DGJNXUYHENMAEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
4.35
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.82
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 C19H21NOS
MW 311.45
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
27448773 10.1016/j.bmc.2016.07.024 Histone-lysine N-methyltransferase SETD7 1

Data from ChEMBL 36 via Core Engine