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Compound Detail

CHEMBL3828832

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CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828832
Phase Preclinical
Structure Type MOL
InChI Key OOHKGIOTAVORHQ-YRNVUSSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
5.01
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O2
MW 350.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.10

Data from ChEMBL 36 via Core Engine