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Compound Detail

CHEMBL1185282

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C=C(C[n+]1ccc(-c2ccc(O)cc2)cc1)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185282
Phase Preclinical
Structure Type MOL
InChI Key GSNQXOAFZDGSEO-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.3
MW (Da)
4.82
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17BrNO+
MW 367.27
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine