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Compound Detail

CHEMBL4116271

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CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116271
Phase Preclinical
Structure Type MOL
InChI Key FHBVLLLZGIEOFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.9
MW (Da)
5.33
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN2+
MW 351.90
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine