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Compound Detail

CHEMBL407577

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Nc1cccnc1NC(=O)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL407577
Phase Preclinical
Structure Type MOL
InChI Key ZYPJSWVTTOVWQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.2
MW (Da)
2.93
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10F3N3O
MW 281.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
18363350 10.1021/jm701191z Prostaglandin G/H synthase 1 1
18363350 10.1021/jm701191z Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine