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Compound Detail

CHEMBL3707218

FUNAPIDE
🧪 Phase II
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🧪 Phase II
O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707218
Name FUNAPIDE
Phase Phase II
Structure Type MOL
InChI Key NEBUOXBYNAHKFV-NRFANRHFSA-N

Known Names

Funapida Funapide Tv-45070 XEN-401-S XEN-402 XEN402 XPF-002
7
Targets
13
Activities
2
Assay Types
1
PK Parameters
10
Publications
7
Known Names
3
Indications

Molecular Properties

429.4
MW (Da)
4.25
ALogP
5
HBA
0
HBD
61.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Year 2016

Extended Properties

Molecular Formula C22H14F3NO5
MW 429.35
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.12

Indications

Neuralgia, Postherpetic Osteoarthritis, Knee Erythromelalgia

Activity Summary

IC50 12 meas. best 8.52
Kd 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 IC50 8.52 8.1033 3.0 3
Unchecked
CHEMBL612545
 IC50 8.52 8.52 3.0 1
Sodium channel protein type 7 subunit alpha
CHEMBL3585
 IC50 7.27 7.27 54.0 1
Sodium channel protein type 5 subunit alpha
CHEMBL1980
 IC50 7.08 7.08 84.0 2
Sodium channel protein type 9 subunit alpha
CHEMBL4296
 Kd 6.79 6.79 161.0 1
Sodium channel protein type 8 subunit alpha
CHEMBL5202
 IC50 6.77 6.765 170.0 2
Sodium channel protein type 2 subunit alpha
CHEMBL4187
 IC50 6.22 6.22 600.0 2
Sodium channel protein type 10 subunit alpha
CHEMBL5451
 IC50 5.32 5.32 4800.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 2.315 nM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel protein type 9 subunit alpha IC50 = 3.0 nM 8.52 In Vitro Assay: The assay is based on the guanidine influx assay described by Re... -
Sodium channel protein type 9 subunit alpha IC50 = 3.0 nM 8.52 Inhibition of human Nav1.7 expressed in HEK293 cells assessed as reduction in 14... -
Unchecked IC50 = 3.0 nM 8.52 Guanidine Influx Assay: A radiotracer flux assay used to determine ion flux acti... -
Sodium channel protein type 7 subunit alpha IC50 = 54.0 nM 7.27 Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay 31012583
Sodium channel protein type 9 subunit alpha IC50 = 54.0 nM 7.27 Inhibition of human Nav1.7 36092147
Sodium channel protein type 5 subunit alpha IC50 = 84.0 nM 7.08 Inhibition of human Nav1.5 expressed in HEK293 cells by electrophysiology assay 31012583
Sodium channel protein type 5 subunit alpha IC50 = 84.0 nM 7.08 Inhibition of human Nav1.5 36092147
Sodium channel protein type 9 subunit alpha Kd = 161.0 nM 6.79 Binding affinity to inactivated state of human Nav1.7 expressed in HEK293 cells ... -
Sodium channel protein type 8 subunit alpha IC50 = 170.0 nM 6.77 Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay 31012583
Sodium channel protein type 8 subunit alpha IC50 = 173.0 nM 6.76 Inhibition of Nav1.6 (unknown origin) 36092147
Sodium channel protein type 2 subunit alpha IC50 = 600.0 nM 6.22 Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assay 31012583
Sodium channel protein type 2 subunit alpha IC50 = 601.0 nM 6.22 Inhibition of Nav1.2 (unknown origin) 36092147
Sodium channel protein type 10 subunit alpha IC50 = 4800.0 nM 5.32 Inhibition of human Nav1.8 expressed in HEK293 cells by electrophysiology assay 31012583

Literature References

PubMed DOI Target Context # Activities
31012583 10.1021/acs.jmedchem.8b01906 Unchecked 4
31012583 10.1021/acs.jmedchem.8b01906 Sodium channel protein type 7 subunit alpha 1
31012583 10.1021/acs.jmedchem.8b01906 Sodium channel protein type 2 subunit alpha 1
31012583 10.1021/acs.jmedchem.8b01906 Sodium channel protein type 5 subunit alpha 1
31012583 10.1021/acs.jmedchem.8b01906 Sodium channel protein type 8 subunit alpha 1
31012583 10.1021/acs.jmedchem.8b01906 Sodium channel protein type 10 subunit alpha 1
36092147 10.1039/d2md00081d Sodium channel protein type 5 subunit alpha 1
36092147 10.1039/d2md00081d Sodium channel protein type 9 subunit alpha 1
36092147 10.1039/d2md00081d Sodium channel protein type 2 subunit alpha 1
36092147 10.1039/d2md00081d Sodium channel protein type 8 subunit alpha 1

Data from ChEMBL 36 via Core Engine