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Compound Detail

CHEMBL1197656

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OCC[n+]1c2ccccc2nc2ccc(N3CCOCC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197656
Phase Preclinical
Structure Type MOL
InChI Key GNWBCWMEPWXQGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
1.50
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N3O2+
MW 310.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine