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Compound Detail

CHEMBL3306801

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C[N+](C)(CCBr)CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306801
Phase Preclinical
Structure Type MOL
InChI Key GTVDDKLCFZQOFY-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

239.1
MW (Da)
1.32
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17BrNO2+
MW 239.13
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine