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Compound Detail

CHEMBL2365871

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COC1=C(OC)C(=O)C(CCCCCCCCCC[N+]2(C)CCOCC2)=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2365871
Phase Preclinical
Structure Type MOL
InChI Key IQSWUAKXSOPNKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
3.95
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H40NO5+
MW 422.59
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.89

Data from ChEMBL 36 via Core Engine