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Compound Detail

CHEMBL290796

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CCN1c2ccccc2S(=O)(=O)N(C)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290796
Phase Preclinical
Structure Type MOL
InChI Key QUHYTHJUXOYJSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
2.38
ALogP
4
HBA
0
HBD
53.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O2S
MW 289.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00257-T C8166 1

Data from ChEMBL 36 via Core Engine