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Compound Detail

CHEMBL172720

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CS(=O)(=O)c1ccc(-c2nccnc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172720
Phase Preclinical
Structure Type MOL
InChI Key VPFPZWIWCHWHJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.21
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O2S
MW 310.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
10230611 10.1016/s0960-894x(99)00105-5 Prostaglandin G/H synthase 1 1
10230611 10.1016/s0960-894x(99)00105-5 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine