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Compound Detail

CHEMBL1182683

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C=C(C[n+]1ccc(C2CCCCC2)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182683
Phase Preclinical
Structure Type MOL
InChI Key VKCQYWANMNIPPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.74
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.71
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 C20H24N+
MW 278.42
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine