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Compound Detail

CHEMBL3105837

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O=C(c1ccncc1)c1cc2c(ccc3ccccc32)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105837
Phase Preclinical
Structure Type MOL
InChI Key KEPDULCEQAQGPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.95
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.56
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 C18H12N2O
MW 272.31
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
24398380 10.1016/j.bmc.2013.12.041 No relevant target 1
24398380 10.1016/j.bmc.2013.12.041 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 1

Data from ChEMBL 36 via Core Engine