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Compound Detail

CHEMBL158911

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c1ccc(-c2c[nH]c(CC3COc4ccccc4O3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158911
Phase Preclinical
Structure Type MOL
InChI Key GQJBVJLHYYBCIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
3.46
ALogP
3
HBA
1
HBD
47.1
PSA (Ų)
0.80
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 C18H16N2O2
MW 292.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine