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Compound Detail

CHEMBL4301265

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CC[N+](CC)(CC)CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301265
Phase Preclinical
Structure Type MOL
InChI Key JJGCCLFTIIFXFM-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.91
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38NO3+
MW 412.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine