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Compound Detail

CHEMBL1185596

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CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC[n+]1ccccc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185596
Phase Preclinical
Structure Type MOL
InChI Key NLMZCCPXQNRTIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.8
MW (Da)
7.98
ALogP
4
HBA
0
HBD
48.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H58NO4+
MW 520.82
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine