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Compound Detail

CHEMBL563262

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O=S1(=O)CCCCCNc2nc(cc(C(F)(F)F)n2)-c2ccc1cc2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563262
Phase Preclinical
Structure Type MOL
InChI Key MHZTYRQVELFTGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.53
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F3N3O2S
MW 371.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
19520573 10.1016/j.bmcl.2009.02.085 Unchecked 1
19520573 10.1016/j.bmcl.2009.02.085 Prostaglandin G/H synthase 1 1
19520573 10.1016/j.bmcl.2009.02.085 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine