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Compound Detail

CHEMBL1181259

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CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CCC)C(C)=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181259
Phase Preclinical
Structure Type MOL
InChI Key XSBSYOSKLRUKED-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

620.9
MW (Da)
7.87
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H62N3O6+
MW 620.90
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine