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Compound Detail

CHEMBL1178209

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CCN(CC)c1ccc2[o+]c3cc(C)c(N)cc3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178209
Phase Preclinical
Structure Type MOL
InChI Key LUTMNHULMIQHAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
4.00
ALogP
3
HBA
1
HBD
53.5
PSA (Ų)
0.45
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 C17H20N3O+
MW 282.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine