Details of the Drug

General Information of Drug (ID: DMZY0SF)

Drug Name
CNS-5788
Synonyms UNII-67M8W71RHJ; 67M8W71RHJ
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 367.9
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H18ClN3OS2
IUPAC Name
2-(2-chloro-5-methylsulfanylphenyl)-1-methyl-1-(3-methylsulfinylphenyl)guanidine
Canonical SMILES
CN(C1=CC(=CC=C1)S(=O)C)C(=NC2=C(C=CC(=C2)SC)Cl)N
InChI
InChI=1S/C16H18ClN3OS2/c1-20(11-5-4-6-13(9-11)23(3)21)16(18)19-15-10-12(22-2)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)
InChIKey
RODJWDCTFWIGQR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9842186
ChEBI ID
CHEMBL145968
CAS Number
342047-49-8
TTD ID
D03RZU
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013711)
2 Identification and characterization of a potential ischemia-selective N-methyl-D-aspartate (NMDA) receptor ion-channel blocker, CNS 5788. Bioorg Med Chem Lett. 2001 Feb 26;11(4):501-4.