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Compound Detail

CHEMBL1835472

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CC(=O)Oc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1835472
Phase Preclinical
Structure Type MOL
InChI Key LPICFAXAKWQDEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
3.13
ALogP
6
HBA
1
HBD
104.3
PSA (Ų)
0.51
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 C18H14F3N3O4S
MW 425.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
21890358 10.1016/j.bmcl.2011.08.053 Prostaglandin G/H synthase 1 1
21890358 10.1016/j.bmcl.2011.08.053 Prostaglandin G/H synthase 2 1
21890358 10.1016/j.bmcl.2011.08.053 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine