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Compound Detail

CHEMBL4595946

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O=C(OC1C[N+]2(CCCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595946
Phase Preclinical
Structure Type MOL
InChI Key VLRJRPJTORUGQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.7
MW (Da)
5.49
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38NO3+
MW 484.66
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.30

Data from ChEMBL 36 via Core Engine