Compound Detail

CHEMBL28564

ELIPRODIL

🧪 Phase II

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🧪 Phase II

OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL28564
Name	ELIPRODIL
Phase	Phase II
Structure Type	MOL
InChI Key	GGUSQTSTQSHJAH-UHFFFAOYSA-N

Known Names

Eliprodil

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

347.9

MW (Da)

4.47

ALogP

HBA

HBD

23.5

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

USAN Stem

-dil

Extended Properties

Molecular Formula	C20H23ClFNO
MW	347.86
Aromatic Rings	2
Heavy Atoms	24
NP-Likeness	-1.06

Indications

Movement Disorders Parkinson Disease

Activity Summary

Ki 17 meas. best 7.89

IC50 16 meas. best 7.08

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, NMDA 2B CHEMBL1904	Ki	7.89	7.89	13.0	8
Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603	Ki	7.89	7.89	13.0	1
Unchecked CHEMBL612545	Ki	7.89	7.89	13.0	4
Sigma intracellular receptor 2 CHEMBL4105864	Ki	7.15	7.15	71.0	2
Glutamate (NMDA) receptor subunit zeta 1 CHEMBL3451	IC50	7.08	6.1967	82.6	3
Sigma non-opioid intracellular receptor 1 CHEMBL4153	Ki	7.03	7.03	94.0	2
Plasmodium falciparum CHEMBL364	IC50	6.6	6.0857	251.2	7
Adrenergic receptor alpha-1 CHEMBL1907610	IC50	6.1	5.79	800.0	2
Glutamate receptor ionotropic, NMDA 2C CHEMBL401	IC50	6.0	6.0	1000.0	1
Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666	IC50	5.85	5.85	1400.0	1
Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680	IC50	4.0	4.0	100000.0	1
Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911	IC50	4.0	4.0	100000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell ...	31255496
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells...	25458498
Glutamate NMDA receptor; GRIN1/GRIN2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expre...	20965739
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed i...	26531150
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from recombinant human GluN2B expressed in mouse ...	27061977
Unchecked	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B receptor exp...	28704758
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed i...	29289890
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]-ifenprodil from GluN2B receptor (unknown origin) expressed ...	30108812
Unchecked	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from GluN1A/GluN2B (unknown origin) expressed in ...	31648876
Unchecked	Ki	=	13.0	nM	7.89	Displacement of [3H] ifenprodil from GluN2B/GluN1a (unknown origin) expressed in...	31129453
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from human recombinant GluN2B expressed in mouse ...	31843460
Glutamate receptor ionotropic, NMDA 2B	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell ...	32070917
Unchecked	Ki	=	13.0	nM	7.89	Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B expressed in...	35468513
Sigma intracellular receptor 2	Ki	=	71.0	nM	7.15	Displacement of [3H]-DTG from sigma 2 receptor in rat liver membrane measured af...	35468513
Sigma intracellular receptor 2	Ki	=	71.0	nM	7.15	Displacement of [3H]di-O-tolylguanidine from sigma 2 receptor in rat liver membr...	35065412
Glutamate (NMDA) receptor subunit zeta 1	IC50	=	82.6	nM	7.08	Displacement of [3H]ifendropil from binding site of N-methyl-D-aspartate glutama...	10890168
Sigma non-opioid intracellular receptor 1	Ki	=	94.0	nM	7.03	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me...	35065412
Sigma non-opioid intracellular receptor 1	Ki	=	94.0	nM	7.03	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co...	35468513
Plasmodium falciparum	IC50	=	251.19	nM	6.6	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr...	19734910
Glutamate (NMDA) receptor subunit zeta 1	IC50	=	277.0	nM	6.56	Compound was tested for inhibition of [3H]MK-801 binding to N-methyl-D-aspartate...	10890168

Literature References

PubMed	DOI	Target Context	# Activities
19734910	10.1038/nchembio.215	Plasmodium falciparum	7
-	10.6019/CHEMBL5303304	Fibroblast	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL5303304	HEK-293T	3
10890168	10.1016/s0960-894x(00)00246-8	Glutamate (NMDA) receptor subunit zeta 1	3
31129453	10.1016/j.ejmech.2019.05.034	Unchecked	2
30108812	10.1039/C6MD00621C	Unchecked	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL5303304	U2OS	2
-	10.1016/S0960-894X(00)80098-0	Unchecked	1
29289890	10.1016/j.ejmech.2017.12.054	Glutamate receptor ionotropic, NMDA 2B	1
-	10.6019/CHEMBL5665443	Uracil-DNA glycosylase	1
25458498	10.1016/j.bmc.2014.10.004	Glutamate receptor ionotropic, NMDA 2B	1
20965739	10.1016/j.bmc.2010.09.026	Glutamate NMDA receptor; GRIN1/GRIN2B	1
-	10.1016/S0960-894X(00)80098-0	Glutamate receptor ionotropic, NMDA 2C	1
-	10.1016/0960-894X(95)00071-Z	Rattus norvegicus	1
10425109	10.1021/jm990246i	Rattus	1
10425109	10.1021/jm990246i	Glutamate NMDA receptor; Grin1/Grin2c	1

Data from ChEMBL 36 via Core Engine