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Compound Detail

CHEMBL187849

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COc1cc(C(=O)n2ccc3cc(C#N)ccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187849
Phase Preclinical
Structure Type MOL
InChI Key BUAIZYJPADFUBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.23
ALogP
6
HBA
0
HBD
73.5
PSA (Ų)
0.73
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 C19H16N2O4
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
15293996 10.1021/jm049802l NUGC-3 1
15293996 10.1021/jm049802l MKN-45 1
15293996 10.1021/jm049802l MES-SA 1
15293996 10.1021/jm049802l A549 1
15293996 10.1021/jm049802l MCF7 1

Data from ChEMBL 36 via Core Engine