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Compound Detail

CHEMBL4162599

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COc1ccc(S(=O)(=O)N2CCCC2)c2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162599
Phase Preclinical
Structure Type MOL
InChI Key QKZGTCHCFRVTRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
2.03
ALogP
4
HBA
0
HBD
59.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O3S
MW 292.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
30272964 10.1021/acs.jmedchem.8b01126 Catechol O-methyltransferase 1

Data from ChEMBL 36 via Core Engine