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Compound Detail

CHEMBL3896797

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O=C1NCC(c2ccc(OC(F)(F)C(F)F)cc2)N1c1ccc2nc[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3896797
Phase Preclinical
Structure Type MOL
InChI Key CCZBHLPIMLZZQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
4.07
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.64
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 C18H14F4N4O2
MW 394.33
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine