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Compound Detail

CHEMBL5221722

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COc1ccc(CNC(CO)c2cc(F)c(N)c(Br)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221722
Phase Preclinical
Structure Type MOL
InChI Key LXPYJTWRLOUGLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.2
MW (Da)
3.00
ALogP
4
HBA
3
HBD
67.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BrFN2O2
MW 369.23
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine