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Compound Detail

CHEMBL382707

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Cc1[nH]c2ccccc2c1/C=C1\C(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382707
Phase Preclinical
Structure Type MOL
InChI Key BYGSXWHCGYRDFF-GDNBJRDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
3.97
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O
MW 274.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
16203145 10.1016/j.bmcl.2005.08.068 DNA gyrase 1
27318978 10.1016/j.ejmech.2016.06.003 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine