EcoDrugPlus


Status
Molecule Category	Free-form

Status

Molecule Category

Free-form


InChI Key	LSYANGLAZUZYFX-UHFFFAOYSA-N
Smiles	N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1
InChI	InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)

InChI Key

LSYANGLAZUZYFX-UHFFFAOYSA-N

Smiles

N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1

InChI

InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	30-60
Ion channel Voltage-gated ion channel Voltage-gated calcium channel	-	1.8-40	-	20	-
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor	-	-	-	-	60
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuromedin U receptor	-	-	-	-	56
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuropeptide receptor	-	-	-	-	60
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) EDG receptor	-	-	-	-	55
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor	-	-	-	-	84
Membrane receptor	-	-	-	-	54
Transporter Transmembrane 1-electron transfer carriers	-	-	-	-	30
Unclassified protein	-	6.4	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel

30-60

Ion channel Voltage-gated ion channel Voltage-gated calcium channel

1.8-40

Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor

Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuromedin U receptor

Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuropeptide receptor

Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) EDG receptor

Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor

Membrane receptor

Transporter Transmembrane 1-electron transfer carriers

Unclassified protein

6.4

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	3.4-33	-	-	-
Homo sapiens	-	6.4-18	-	20	30-84
Macaca fascicularis	-	19	-	-	-
Mus musculus	-	6.4-40	-	-	-
Rattus norvegicus	-	1.8-16	-	-	93

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Canis lupus familiaris

3.4-33

Homo sapiens

6.4-18

30-84

Macaca fascicularis

Mus musculus

6.4-40

Rattus norvegicus

1.8-16

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

APINOCALTAMIDE

Structure

Pharmacology