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Compound Detail

CHEMBL4554176

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O=C(Nc1nn2cccnc2c1-c1ccc(F)cc1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4554176
Phase Preclinical
Structure Type MOL
InChI Key GFXOOPXGUXNYAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.66
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4O
MW 324.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
31416667 10.1016/j.bmcl.2019.08.007 Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 2

Data from ChEMBL 36 via Core Engine