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Compound Detail

CHEMBL321024

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OC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321024
Phase Preclinical
Structure Type MOL
InChI Key DZGMNXWTQWGZTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.02
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN3O
MW 359.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
1507204 10.1021/jm00095a009 Mus musculus 4
1507204 10.1021/jm00095a009 No relevant target 1
1507204 10.1021/jm00095a009 Phospholipase A2, major isoenzyme 1
1507204 10.1021/jm00095a009 Cyclooxygenase 1
1507204 10.1021/jm00095a009 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine