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Compound Detail

CHEMBL3728472

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Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2c(F)cc(F)cc2F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3728472
Phase Preclinical
Structure Type MOL
InChI Key JBMBJBGVGQXTGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
4.53
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.67
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 C17H12F6N4
MW 386.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.75

Data from ChEMBL 36 via Core Engine