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Compound Detail

CHEMBL109844

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COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3F)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109844
Phase Preclinical
Structure Type MOL
InChI Key ZGDAFEZSQVKBGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.2
MW (Da)
4.77
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.68
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 C18H13BrFN3O2
MW 402.22
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine