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Compound Detail

CHEMBL4288868

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O=C(O)c1ccnc(-c2cn(CCN3Cc4ccc(C(F)(F)F)cc4C3)cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288868
Phase Preclinical
Structure Type MOL
InChI Key MBCNXHQXPLPFAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.68
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F3N4O2
MW 402.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine