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Compound Detail

CHEMBL3990791

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Cc1c2cc[n+](CCN)cc2c(C)c2c1[nH]c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990791
Phase Preclinical
Structure Type MOL
InChI Key DSFOKKSSGVFFRD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.34
ALogP
1
HBA
2
HBD
45.7
PSA (Ų)
0.55
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 C19H20N3+
MW 290.39
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine