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Compound Detail

CHEMBL1927329

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CCn1c(=O)c(F)cn(Cc2c(C)cc3c(c2OC)C(=O)c2c(OC)cc(OC)cc2C3=O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1927329
Phase Preclinical
Structure Type MOL
InChI Key FZUQJMDUNKUIMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
2.33
ALogP
9
HBA
0
HBD
105.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23FN2O7
MW 482.46
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
22093761 10.1016/j.ejmech.2011.10.050 NON-PROTEIN TARGET 1
22093761 10.1016/j.ejmech.2011.10.050 SGC-7901 1
22093761 10.1016/j.ejmech.2011.10.050 HepG2 1
22093761 10.1016/j.ejmech.2011.10.050 HEK293 1

Data from ChEMBL 36 via Core Engine