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Compound Detail

CHEMBL227013

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Nc1nc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227013
Phase Preclinical
Structure Type MOL
InChI Key CORBDYOIGBQLNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.3
MW (Da)
3.77
ALogP
6
HBA
2
HBD
106.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12F3N5O2
MW 399.33
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.06

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