Details of the Drug

General Information of Drug (ID: DMMGYXR)

Drug Name
Dizocilpine
Synonyms
DIZOCILPINE; 77086-21-6; MK-801 (Dizocilpine); UNII-7PY8KH681I; MK-801; Lopac-M-108; Lopac-M-107; MK 801; Prestwick0_000109; (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene; 7PY8KH681I; CHEMBL284237; CHEBI:34725; Dizocilpine [INN]; Dizocilpinum [INN-Latin]; Dizocilpina [INN-Spanish]; Dizocilpinum; Dizocilpina; MK801; MK-801(Dizocilpine); HSDB 7641; (+)MK-801; (+)-MK-801; (+/-)-MK801; Prestwick2_000109; Prestwick3_000109; Prestwick1_000109; Biomol-NT_000210; SCHEMBL34528; Lopac0_000872; BSPBio_000098; SPBio_002037
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Terminated [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.3
Topological Polar Surface Area (xlogp) 2.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H15N
IUPAC Name
(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Canonical SMILES
C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24
InChI
InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
InChIKey
LBOJYSIDWZQNJS-CVEARBPZSA-N
Cross-matching ID
PubChem CID
180081
ChEBI ID
CHEBI:34725
CAS Number
77086-21-6
TTD ID
D02KLW
VARIDT ID
DR00506

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [3]
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [4]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [4]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000713)
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17 Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5690-4.
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