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Compound Detail

CHEMBL108795

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Cc1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108795
Phase Preclinical
Structure Type MOL
InChI Key DSPVMSJCMXFRKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.19
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.58
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 C23H21N3O
MW 355.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.84

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