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Compound Detail

CHEMBL1625076

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CC[N+](C)(CC)CC(=O)OCC1C(C)C=C(C)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1625076
Phase Preclinical
Structure Type MOL
InChI Key XPZFSIWXSZKPNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.25
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.42
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 C17H32NO2+
MW 282.45
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.08

Data from ChEMBL 36 via Core Engine