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Compound Detail

CHEMBL4549943

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Cc1ccc(S(=O)(=O)n2cc(C3CNC(C4CCCCC4)=N3)c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4549943
Phase Preclinical
Structure Type MOL
InChI Key KKQFKCJSCMWRET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.6
MW (Da)
4.81
ALogP
5
HBA
1
HBD
63.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O2S
MW 421.57
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.58

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