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Compound Detail

CHEMBL1178046

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

Basic Information

ChEMBL ID CHEMBL1178046
Phase Preclinical
Structure Type MOL
InChI Key XFEFULLFIZPHLN-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

604.9
MW (Da)
8.49
ALogP
5
HBA
1
HBD
88.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H62N3O5+
MW 604.90
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine