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Compound Detail

CHEMBL4577042

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CC1=NC(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577042
Phase Preclinical
Structure Type MOL
InChI Key BOTOWVVPMRWZOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.9
MW (Da)
3.59
ALogP
5
HBA
1
HBD
63.5
PSA (Ų)
0.76
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 C18H16ClN3O2S
MW 373.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
30522951 10.1016/j.bmcl.2018.11.011 Kallikrein-7 2

Data from ChEMBL 36 via Core Engine