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Compound Detail

CHEMBL1623324

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CCN(CC)C(=O)c1ccc(/C=C/c2c[nH]c3ccccc23)[n+](C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1623324
Phase Preclinical
Structure Type MOL
InChI Key IJMGRQRIHGVZPB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.64
ALogP
1
HBA
1
HBD
40.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N3O+
MW 334.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine