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Compound Detail

CHEMBL3558119

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O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3cc[nH]c(=O)c3)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558119
Phase Preclinical
Structure Type MOL
InChI Key LDYQHMPYEFIFBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.94
ALogP
3
HBA
3
HBD
98.8
PSA (Ų)
0.50
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 C21H14FN3O3
MW 375.36
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine