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Compound Detail

CHEMBL3990361

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FC(F)(F)c1cccc(-c2c[nH]c(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990361
Phase Preclinical
Structure Type MOL
InChI Key RSFBRAHCHZGZPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.15
ALogP
5
HBA
2
HBD
86.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N7
MW 413.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.81

Data from ChEMBL 36 via Core Engine