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Compound Detail

CHEMBL1177954

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CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2cccc3ccccc32)CSC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1177954
Phase Preclinical
Structure Type MOL
InChI Key HVZAPNYMFYFAHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

584.9
MW (Da)
9.46
ALogP
4
HBA
0
HBD
39.4
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 C36H58NO3S+
MW 584.93
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine