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Compound Detail

CHEMBL1185905

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CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185905
Phase Preclinical
Structure Type MOL
InChI Key NYUOBVIALFMKHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
5.15
ALogP
4
HBA
0
HBD
47.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32NO3S+
MW 414.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.16

Data from ChEMBL 36 via Core Engine