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Compound Detail

CHEMBL4300227

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C[N+](C)(CCCNCc1ccc(-c2ccc(Cl)cc2Br)o1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300227
Phase Preclinical
Structure Type MOL
InChI Key ADOSAUJZZHZBRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.8
MW (Da)
6.12
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27BrClN2O+
MW 462.84
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine