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Compound Detail

CHEMBL4097354

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COc1cc2c(cc1-c1ccccc1)C(=O)/C(=C/c1ccccc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097354
Phase Preclinical
Structure Type MOL
InChI Key NNFLRNVPHGPHIX-MTJSOVHGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.98
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16O3
MW 328.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
28651984 10.1016/j.bmcl.2017.06.040 Unchecked 1

Data from ChEMBL 36 via Core Engine