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Compound Detail

CHEMBL4301669

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Cc1cc(O)ccc1C(=O)OCCCCCCCCCCCCCC[n+]1cccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301669
Phase Preclinical
Structure Type MOL
InChI Key DEQSDLIUPORSDR-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.7
MW (Da)
7.68
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.13
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H42NO3+
MW 476.68
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine