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Compound Detail

CHEMBL4109277

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O=C1NC[C@H](c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2[nH]cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4109277
Phase Preclinical
Structure Type MOL
InChI Key WLYKMFXDVWSKFU-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
5.13
ALogP
2
HBA
2
HBD
61.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F2N4O
MW 396.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine