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Compound Detail

CHEMBL1180483

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CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)CCCCC[n+]2ccsc2)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180483
Phase Preclinical
Structure Type MOL
InChI Key NVYLTIQWEFPKBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

566.9
MW (Da)
8.82
ALogP
5
HBA
0
HBD
48.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H60NO4S+
MW 566.91
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 0.37

Data from ChEMBL 36 via Core Engine