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Compound Detail

CHEMBL1784318

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Oc1ccccc1-c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784318
Phase Preclinical
Structure Type MOL
InChI Key GKSPIKYEYHFEIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
2.39
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.66
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 C10H9NO
MW 159.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
21534527 10.1021/jm200259f Unchecked 1

Data from ChEMBL 36 via Core Engine