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Compound Detail

CHEMBL344151

DIZOCILPINE MALEATE
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C[C@]12N[C@H](Cc3ccccc31)c1ccccc12.O=C(O)/C=C\C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344151
Name DIZOCILPINE MALEATE
Phase Preclinical
Structure Type MOL
InChI Key QLTXKCWMEZIHBJ-PJGJYSAQSA-N
Parent Compound CHEMBL284237
Active Moiety CHEMBL284237

Known Names

Dizocilpine maleate MK-801
6
Targets
14
Activities
4
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

221.3
MW (Da)
3.15
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -pine
USAN Year 1989

Extended Properties

Molecular Formula C20H19NO4
MW 337.38
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 1.10

Activity Summary

IC50 8 meas. best 10.0
Ki 4 meas. best 8.62
EC50 1 meas. best 6.32
Kd 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
 IC50 10.0 9.12 0.1 2
Glutamate NMDA receptor
CHEMBL1907608
 Ki 8.62 8.62 2.4 1
Unchecked
CHEMBL612545
 Ki 8.62 8.56 2.4 3
Unchecked
CHEMBL612545
 Kd 8.4 8.4 4.0 1
Unchecked
CHEMBL612545
 IC50 8.37 8.295 4.3 2
SH-SY5Y
CHEMBL614910
 IC50 8.1 8.1 7.9 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.32 6.32 480.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.4 5.2667 3981.1 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 0.1 nM 10.0 Electrophysiological responses in open channel block to NMDA were recorded in 13... 7528282
Glutamate NMDA receptor Ki = 2.4 nM 8.62 Binding affinity was determined towards NMDA receptor using [3H]thienylcyclidine... 7528282
Unchecked Ki = 2.4 nM 8.62 Binding affinity to human PCP receptor by radioligand displacement assay 23466604
Unchecked Ki = 2.9 nM 8.54 Displacement of [3H]-(+)-MK-801 from NMDA receptor PCP binding site in guinea pi... 25062506
Unchecked Ki = 3.0 nM 8.52 Displacement of [3H]-(+)-MK-801 from PCP binding site of NMDA receptor in pig br... 23013229
Unchecked Kd = 4.0 nM 8.4 Binding affinity to NMDAR in Sprague-Dawley rat cerebral cortex homogenates 23033965
Unchecked IC50 = 4.3 nM 8.37 Binding affinity to human PCP receptor by radioligand displacement assay 23466604
Mus musculus IC50 = 5.8 nM 8.24 Electrophysiological responses in closed channel block to NMDA were recorded in ... 7528282
Unchecked IC50 = 6.0 nM 8.22 Binding affinity to PCP receptor (unknown origin) by radioligand displacement as... 23582449
SH-SY5Y IC50 = 7.91 nM 8.1 Neuroprotective activity in human SH-SY5Y cells assessed as protection against N... 23033965
NON-PROTEIN TARGET EC50 = 480.0 nM 6.32 Neuroprotective activity against rat cortical cells assessed as glutamate-induce... 18198838
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
35202968 10.1016/j.bmc.2022.116675 PC-12 6
20170988 10.1016/j.ejmech.2010.01.039 Neuron 4
12444706 10.1021/np0202172 Cortical neurone 3
19734910 10.1038/nchembio.215 Plasmodium falciparum 3
24769350 10.1016/j.ejmech.2014.04.039 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23466604 10.1016/j.ejmech.2013.01.044 Unchecked 2
23098038 10.1021/jm301055g Unchecked 2
17417631 10.1038/nchembio873 Unchecked 2
16562831 10.1021/np050291v Mus musculus 2
18198838 10.1021/np070588o NON-PROTEIN TARGET 2
7528282 10.1021/jm00052a003 Mus musculus 2
23013229 10.1021/jm301166m Unchecked 1
16499335 10.1021/np0503808 NON-PROTEIN TARGET 1
23033965 10.1021/jm3009458 SH-SY5Y 1
23033965 10.1021/jm3009458 Unchecked 1
23582449 10.1016/j.bmc.2013.03.016 Unchecked 1
16904319 10.1016/j.bmcl.2006.07.038 Cortical neurone 1
35202968 10.1016/j.bmc.2022.116675 Unchecked 1

Data from ChEMBL 36 via Core Engine