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Compound Detail

CHEMBL66920

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O=C(O)Cc1ccc(=O)n(Cc2nc3cc(F)cc(F)c3s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL66920
Phase Preclinical
Structure Type MOL
InChI Key CNBIEAPALNYLEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
1.81
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.78
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 C14H9F2N3O3S
MW 337.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
1613743 10.1021/jm00090a002 Aldo-keto reductase family 1 member B1 1
1613743 10.1021/jm00090a002 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine