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Compound Detail

CHEMBL3559246

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CN1CCN(c2cc(/C=C/c3cc([N+](=O)[O-])ccc3O)[n+](C)c3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559246
Phase Preclinical
Structure Type MOL
InChI Key OXTHOJHVMXOOBO-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.20
ALogP
5
HBA
1
HBD
73.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N4O3+
MW 405.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine