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Compound Detail

CHEMBL1618760

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CCOC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618760
Phase Preclinical
Structure Type MOL
InChI Key XFPRFLNSKPNNLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.43
ALogP
4
HBA
1
HBD
55.3
PSA (Ų)
0.66
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 C15H21N2O3+
MW 277.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine