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Compound Detail

CHEMBL1178804

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c1ccc2c(c1)Nc1cccc3cc4[n+](c-2c13)CCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178804
Phase Preclinical
Structure Type MOL
InChI Key OXJADAYPJJDRMG-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
3.80
ALogP
1
HBA
1
HBD
15.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N2+
MW 259.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.33

Data from ChEMBL 36 via Core Engine