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Compound Detail

CHEMBL354991

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COc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354991
Phase Preclinical
Structure Type MOL
InChI Key ORHJMGZVOKXUHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.49
ALogP
6
HBA
0
HBD
76.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O4S2
MW 362.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
10206542 10.1016/s0960-894x(99)00095-5 Complement C1r subcomponent 2
10206542 10.1016/s0960-894x(99)00095-5 Serine protease 1 1

Data from ChEMBL 36 via Core Engine