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Compound Detail

CHEMBL1927332

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

Basic Information

ChEMBL ID CHEMBL1927332
Phase Preclinical
Structure Type MOL
InChI Key WVUPRSXXHOWGPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

522.5
MW (Da)
3.27
ALogP
9
HBA
0
HBD
105.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27FN2O7
MW 522.53
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.35

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