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Compound Detail

CHEMBL1927327

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COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)[nH]c3=O)c(OC)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1927327
Phase Preclinical
Structure Type MOL
InChI Key BTCMFSIEEBGSFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
1.83
ALogP
8
HBA
1
HBD
116.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19FN2O7
MW 454.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.18

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