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Compound Detail

CHEMBL4075240

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Fc1ccc(CC(c2cccnc2)c2cccnc2)c(-c2cn[nH]c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075240
Phase Preclinical
Structure Type MOL
InChI Key SHVDMDQPEQEXDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.38
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17FN4
MW 344.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
28131713 10.1016/j.bmcl.2016.12.054 Potassium voltage-gated channel subfamily A member 5 1
28131713 10.1016/j.bmcl.2016.12.054 Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) 1
28131713 10.1016/j.bmcl.2016.12.054 Voltage-gated inwardly rectifying potassium channel KCNH2 1
28131713 10.1016/j.bmcl.2016.12.054 Unchecked 1

Data from ChEMBL 36 via Core Engine