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Compound Detail

CHEMBL4438651

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CC1=NC(c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)CN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438651
Phase Preclinical
Structure Type MOL
InChI Key HNBUIMTUBCAQFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.9
MW (Da)
3.94
ALogP
5
HBA
0
HBD
54.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN3O2S
MW 387.89
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.09

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