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Compound Detail

CHEMBL120108

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CCCCCCCCOc1cccc2c1C1c3cccc[n+]3C2CC1(c1ccoc1)c1ccoc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120108
Phase Preclinical
Structure Type MOL
InChI Key OUAHQAVLVKUUDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
7.32
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34NO3+
MW 468.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.45

Data from ChEMBL 36 via Core Engine