EcoDrugPlus


Synonyms	Funapide TV-45070 Tv-45070 XEN-401-S XEN-402 XEN402 XPF-002
Status
Molecule Category	Free-form
UNII	A5595LHJ2L
EPA CompTox	DTXSID201031866

Synonyms

Funapide

TV-45070

Tv-45070

XEN-401-S

XEN-402

XEN402

XPF-002

Status

Molecule Category

Free-form

UNII

A5595LHJ2L

EPA CompTox

DTXSID201031866


InChI Key	NEBUOXBYNAHKFV-NRFANRHFSA-N
Smiles	O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3
InChI	InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1

InChI Key

NEBUOXBYNAHKFV-NRFANRHFSA-N

Smiles

O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2[C@]12COc1cc3c(cc12)OCO3

InChI

InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1

Property Name	Value
Molecular Formula	C22H14F3NO5
Molecular Weight	429.35
AlogP	4.25
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	61.14
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C22H14F3NO5

Molecular Weight

429.35

AlogP

4.25

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

2.0

Polar Surface Area

61.14

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

31.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	54-600	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Voltage-gated ion channel Voltage-gated sodium channel

54-600

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	54-600	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

54-600

Resources	Reference
CAS NUMBER	1259933-16-8
ChEMBL	CHEMBL3707218
DrugBank	DB11769
FDA SRS	A5595LHJ2L
PubChem	49836093
SureChEMBL	SCHEMBL1612849
ZINC	ZINC000113473392

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

FUNAPIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References