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Compound Detail

CHEMBL1617971

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Cc1ccc2[nH]cc(/C=C/c3cc[n+](C)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617971
Phase Preclinical
Structure Type MOL
InChI Key DGEOBTFQUSETAW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
3.47
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.67
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 C17H17N2+
MW 249.34
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine