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Compound Detail

CHEMBL3104546

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Cc1c(CC(=O)NC(CCO)C(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104546
Phase Preclinical
Structure Type MOL
InChI Key UWDFMTMFMQSXNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
2.49
ALogP
6
HBA
3
HBD
125.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25FN2O6S
MW 488.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
24373735 10.1016/j.bmc.2013.12.008 Prostaglandin G/H synthase 2 2
24373735 10.1016/j.bmc.2013.12.008 Prostaglandin G/H synthase 1 2
24373735 10.1016/j.bmc.2013.12.008 Unchecked 1

Data from ChEMBL 36 via Core Engine