Compound Detail

CHEMBL284237

DIZOCILPINE

🧪 Phase II

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🧪 Phase II

C[C@]12N[C@H](Cc3ccccc31)c1ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL284237
Name	DIZOCILPINE
Phase	Phase II
Structure Type	MOL
InChI Key	LBOJYSIDWZQNJS-CVEARBPZSA-N

Known Names

Dizocilpina Dizocilpine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

221.3

MW (Da)

3.15

ALogP

HBA

HBD

12.0

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-pine
USAN Year	1989

Extended Properties

Molecular Formula	C16H15N
MW	221.30
Aromatic Rings	2
Heavy Atoms	17
NP-Likeness	1.10

Activity Summary

IC50 39 meas. best 8.85

Ki 31 meas. best 8.92

Kd 1 meas. best 7.43

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate [NMDA] receptor CHEMBL2094124	Ki	8.92	8.545	1.2	2
Glutamate NMDA receptor CHEMBL1907608	Ki	8.89	8.1117	1.3	12
Unchecked CHEMBL612545	IC50	8.85	7.855	1.4	8
Unchecked CHEMBL612545	Ki	8.82	8.5167	1.5	12
Muscarinic acetylcholine receptor M5 CHEMBL2035	IC50	8.7	8.7	2.0	1
Glutamate NMDA receptor CHEMBL1907608	IC50	8.54	7.9929	2.9	14
Lysosomal Pro-X carboxypeptidase CHEMBL2335	IC50	8.28	8.28	5.3	2
Glutamate receptor ionotropic, NMDA 1 CHEMBL330	Ki	8.1	7.8867	8.0	3
Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603	IC50	8.05	8.05	9.0	1
Glutamate receptor ionotropic, NMDA 2A CHEMBL1972	IC50	7.54	7.54	29.0	1
Glutamate NMDA receptor CHEMBL1907608	Kd	7.43	7.43	37.2	1
Rattus norvegicus CHEMBL376	IC50	7.27	7.27	54.0	1
Mus musculus CHEMBL375	IC50	7.17	6.47	67.0	3
ADMET CHEMBL612558	IC50	7.17	7.17	67.0	1
Sigma non-opioid intracellular receptor 1 CHEMBL3602	IC50	5.77	5.77	1700.0	2
Plasmodium falciparum CHEMBL364	IC50	5.7	5.45	1995.3	4
Cholinesterase CHEMBL1914	IC50	4.8	4.8	16000.0	1
Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL341	Ki	4.39	4.39	40867.0	1
Sigma non-opioid intracellular receptor 1 CHEMBL3602	Ki	4.23	4.23	59167.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate [NMDA] receptor	Ki	=	1.2	nM	8.92	The compound was tested for its ability to block PCP N-methyl-D-aspartate glutam...	9464369
Glutamate NMDA receptor	Ki	=	1.3	nM	8.89	In vitro binding to N-methyl-D-aspartate glutamate receptor using [3H]MK-801 (1 ...	12039567
Unchecked	IC50	=	1.4	nM	8.85	Compound was evaluated for its affinity towards N-methyl-D-aspartate glutamate r...	1315871
Unchecked	Ki	=	1.5	nM	8.82	Displacement of [3H]-(+)-MK-801 from PCP binding site of NMDA receptor in pig br...	30996788
Glutamate NMDA receptor	Ki	=	1.7	nM	8.77	In vitro radioligand binding assay for the N-methyl-D-aspartate glutamate recept...	9435897
Muscarinic acetylcholine receptor M5	IC50	=	2.0	nM	8.7	Percent inhibition against Muscarinic acetylcholine receptor M5 at 1 uM	16250647
Glutamate NMDA receptor	Ki	=	2.0	nM	8.7	Binding affinity at TCP site of NMDA receptor was determined in rat brain homoge...	7837234
Unchecked	Ki	=	2.2	nM	8.66	Binding affinity against PCP site of the NMDA Receptor using [3H]TCP radioligand	-
Glutamate NMDA receptor	Ki	=	2.2	nM	8.66	Binding affinity against phencyclidine (PCP) site of N-methyl-D-aspartate glutam...	7752207
Glutamate NMDA receptor	Ki	=	2.2	nM	8.66	Displacement of [3H]TCP from NMDA receptor of rat brain membranes	7608913
Glutamate NMDA receptor	Ki	=	2.5	nM	8.6	Tested for in vitro inhibition of the displacement of (+)-[3H]dizocilpine from N...	8355251
Unchecked	Ki	=	2.8	nM	8.55	Displacement of [3H]-(+)-MK 801 from PCP binding site of NMDA receptor in pig br...	28218838
Unchecked	Ki	=	2.8	nM	8.55	Displacement of [3H]-(+)-MK801 from pig brain phencyclidine binding site of NMDA...	-
Unchecked	Ki	=	2.8	nM	8.55	Displacement of [3H]-(+)-MK801 from PCP binding site of NMDA receptor from pig b...	20451396
Glutamate NMDA receptor	IC50	=	2.92	nM	8.54	Binding affinity towards PCP site of the NMDA receptor was measured by displacem...	8336337
Glutamate NMDA receptor	IC50	=	2.92	nM	8.54	Evaluated for their affinity at the PCP site for displacement of [3H]TCP in rat ...	8459395
Unchecked	Ki	=	2.9	nM	8.54	Displacement of [3H]MK801 from NMDA receptor phencyclidine binding site	20441176
Unchecked	Ki	=	2.9	nM	8.54	Displacement of [3H]MK-801 from pig N-methyl D-aspartate receptor phencyclidine ...	-
Glutamate NMDA receptor	IC50	=	3.0	nM	8.52	Inhibitory concentration of compound required to displace [3H]TCP 1-[ 1-(2-thien...	-
Unchecked	Ki	=	3.0	nM	8.52	Displacement of [3H]-(+)-MK-801 from phencyclidine binding site of NMDA receptor...	26145819

Literature References

PubMed	DOI	Target Context	# Activities
7932522	10.1021/jm00045a004	Rattus norvegicus	9
8101572	10.1021/jm00066a002	NON-PROTEIN TARGET	7
24607585	10.1016/j.ejmech.2014.02.052	Brain	7
-	10.6019/CHEMBL5058564	U2OS	6
37423124	10.1016/j.ejmech.2023.115624	PC-12	6
1688947	10.1021/jm00164a052	Glutamate NMDA receptor	6
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	5
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	5
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	5
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	5
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	5
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	5
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	5
15787439	10.1021/np049695y	Mus musculus	5
-	10.6019/CHEMBL5209801	Apelin receptor	5
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5058564	Fibroblast	5
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	5
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	5

Data from ChEMBL 36 via Core Engine