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Compound Detail

CHEMBL3144756

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Cc1[nH]n(C)c(=O)c1C(=N)c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144756
Phase Preclinical
Structure Type MOL
InChI Key DIEYTRHFEACLSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
2.46
ALogP
3
HBA
2
HBD
61.6
PSA (Ų)
0.82
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 C13H12F3N3O
MW 283.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
2888897 10.1021/jm00393a021 Mus musculus 2
2888897 10.1021/jm00393a021 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine