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Compound Detail

CHEMBL1183905

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CCCCCCCCCCCCCCCCNC(=O)OCCSCCOC(=O)N(Cc1cccc[n+]1CC)C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183905
Phase Preclinical
Structure Type MOL
InChI Key JEIBYYZGAYKBKW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

594.9
MW (Da)
7.42
ALogP
6
HBA
1
HBD
88.8
PSA (Ų)
0.10
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 C32H56N3O5S+
MW 594.88
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine