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Compound Detail

CHEMBL430920

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CCN1c2ncccc2N(C)S(=O)(=O)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430920
Phase Preclinical
Structure Type MOL
InChI Key WYTQGZNCPCIJJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
1.77
ALogP
5
HBA
0
HBD
66.4
PSA (Ų)
0.80
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 C13H14N4O2S
MW 290.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00257-T C8166 3

Data from ChEMBL 36 via Core Engine