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Compound Detail

CHEMBL4596189

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O=C(OC1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596189
Phase Preclinical
Structure Type MOL
InChI Key QGACZOPMYZXVSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.32
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32NO3+
MW 442.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.25

Data from ChEMBL 36 via Core Engine