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Compound Detail

CHEMBL4168098

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O=C(O)c1nc2ccccc2nc1Nc1ccc2[nH]ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168098
Phase Preclinical
Structure Type MOL
InChI Key WODFPJNXUASCLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
3.55
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N4O2
MW 304.31
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
29778892 10.1016/j.ejmech.2018.04.056 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine