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Compound Detail

CHEMBL1189332

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NC[C@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189332
Phase Preclinical
Structure Type MOL
InChI Key SIPQEKQXLUBVAY-LSDHHAIUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.2
MW (Da)
3.47
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.88
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 C16H16BrNO2
MW 334.21
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.85

Data from ChEMBL 36 via Core Engine