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Compound Detail

CHEMBL4804103

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CC1(C)C(Cc2ccccc2)C(=[N+]2CCCC2)C=CN1Cc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804103
Phase Preclinical
Structure Type MOL
InChI Key XLWPPYJVIPCEMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.81
ALogP
3
HBA
0
HBD
49.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N3O2+
MW 404.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine