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Compound Detail

CHEMBL3605960

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CCSCC(C(=O)c1ccc(OC)cc1)n1cnc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605960
Phase Preclinical
Structure Type MOL
InChI Key SMZCEPIPKABJEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.22
ALogP
5
HBA
0
HBD
44.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O2S
MW 340.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
26220519 10.1016/j.bmc.2015.06.066 DNA (cytosine-5)-methyltransferase 3A 2
26220519 10.1016/j.bmc.2015.06.066 NON-PROTEIN TARGET 2
26220519 10.1016/j.bmc.2015.06.066 HCT-116 1

Data from ChEMBL 36 via Core Engine