Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL316439

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(-c2ccccc2)n[n+](C(C)CCC(=O)O)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316439
Phase Preclinical
Structure Type MOL
InChI Key QOVKGFUTRMBPDQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
2.35
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N3O2+
MW 286.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine