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Compound Detail

CHEMBL1852014

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Cc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1852014
Phase Preclinical
Structure Type MOL
InChI Key JTORCTKRAGYYTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
4.69
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.41
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 C19H18BrN2+
MW 354.27
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.25

Data from ChEMBL 36 via Core Engine