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Compound Detail

CHEMBL81691

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CCOC(=O)CCC[n+]1nc(-c2ccccc2)cc(C)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81691
Phase Preclinical
Structure Type MOL
InChI Key XYNWLJSXJBQZCD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.27
ALogP
4
HBA
1
HBD
69.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N3O2+
MW 300.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine