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Compound Detail

CHEMBL4535920

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CC1=NC(c2cn(S(C)(=O)=O)c3ccccc23)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4535920
Phase Preclinical
Structure Type MOL
InChI Key DRBLVGMYWLPCDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
1.51
ALogP
5
HBA
1
HBD
63.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O2S
MW 277.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
30522951 10.1016/j.bmcl.2018.11.011 Kallikrein-7 1

Data from ChEMBL 36 via Core Engine