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Compound Detail

CHEMBL1180405

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CCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180405
Phase Preclinical
Structure Type MOL
InChI Key WHOOEYKVSVXQEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.8
MW (Da)
5.94
ALogP
6
HBA
0
HBD
78.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H51N2O6+
MW 535.75
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine