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Compound Detail

CHEMBL1184523

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C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184523
Phase Preclinical
Structure Type MOL
InChI Key ZUHCSSKONHEFOX-MDZDMXLPSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
3.42
ALogP
1
HBA
1
HBD
29.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N2+
MW 261.35
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.06

Data from ChEMBL 36 via Core Engine