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Compound Detail

CHEMBL1185494

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CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185494
Phase Preclinical
Structure Type MOL
InChI Key NKWCEMHGUIZKIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.8
MW (Da)
7.65
ALogP
5
HBA
0
HBD
48.6
PSA (Ų)
0.07
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 C30H54NO4S+
MW 524.83
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine