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Compound Detail

CHEMBL4116258

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COc1cccc2c1CCC(C[N+](C)(C)C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116258
Phase Preclinical
Structure Type MOL
InChI Key MIHKXJMBTWDFID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

234.4
MW (Da)
2.51
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24NO+
MW 234.36
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.41

Data from ChEMBL 36 via Core Engine