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Compound Detail

CHEMBL4211159

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Nc1nc(/C=C/CNC(=O)c2cccnc2)c[nH]1

Basic Information

ChEMBL ID CHEMBL4211159
Phase Preclinical
Structure Type MOL
InChI Key WWPFVCYALHBPCA-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
0.83
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N5O
MW 243.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 3 2
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 1 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 2 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 4 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 5 1
28802123 10.1016/j.ejmech.2017.08.015 Potassium voltage-gated channel subfamily A member 6 1
28802123 10.1016/j.ejmech.2017.08.015 Voltage-gated delayed rectifier potassium channel KCNH1 1

Data from ChEMBL 36 via Core Engine