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Compound Detail

CHEMBL3604136

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O=C(Nc1ccncc1)c1cc[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604136
Phase Preclinical
Structure Type MOL
InChI Key RJVPLOLZXTYTOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
1.06
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.74
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 C9H8N4O
MW 188.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.40

Literature References

PubMed DOI Target Context # Activities
26037322 10.1016/j.bmcl.2015.05.004 Polyunsaturated fatty acid lipoxygenase ALOX15 4

Data from ChEMBL 36 via Core Engine