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Compound Detail

CHEMBL4226164

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CCOC(=O)c1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226164
Phase Preclinical
Structure Type MOL
InChI Key XBICMYYDGUZBGV-VBKFSLOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.21
ALogP
4
HBA
0
HBD
59.0
PSA (Ų)
0.58
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 C20H15F3N2O3
MW 388.35
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
29602676 10.1016/j.bmc.2018.03.006 LgtC 1

Data from ChEMBL 36 via Core Engine