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Compound Detail

CHEMBL1190303

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O=[N+]([O-])c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190303
Phase Preclinical
Structure Type MOL
InChI Key KONVQDMKRAUAHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.89
ALogP
4
HBA
0
HBD
55.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O3
MW 326.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine