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Compound Detail

CHEMBL227043

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FC(F)(F)c1ccc(-c2cc(Oc3ccnc4ccccc34)ncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227043
Phase Preclinical
Structure Type MOL
InChI Key CCSLVONYNNJBDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.3
MW (Da)
5.50
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.48
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 C20H12F3N3O
MW 367.33
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
17585750 10.1021/jm070190p Transient receptor potential cation channel subfamily V member 1 2

Data from ChEMBL 36 via Core Engine