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Compound Detail

CHEMBL3823658

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O=C(Nc1n[nH]c2cccc(F)c12)c1ccc2c(c1)CCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3823658
Phase Preclinical
Structure Type MOL
InChI Key OPCGECYPGWHOSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.89
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.76
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 C16H12FN3O2
MW 297.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
27311891 10.1016/j.bmcl.2016.06.013 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine