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Compound Detail

CHEMBL1180101

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

Basic Information

ChEMBL ID CHEMBL1180101
Phase Preclinical
Structure Type MOL
InChI Key LSUANMYXNFBGDT-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

606.9
MW (Da)
7.48
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H60N3O6+
MW 606.87
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine