Details of the Drug

General Information of Drug (ID: DMMZNSC)

• Drug Name: AM-92016
• Synonyms: COMPOUND II; N-(4-(3-((2-(3,4-Dichlorophenyl)ethyl)methylamino)-2-hydroxypropoxy)phenyl)methanesulfonamide; AM-92016; Bio2_000288; AC1L1CZF; Msaph-2ClPhEA-2-propanol; CBiol_001738; KBioGR_000288; BSPBio_001568; KBioSS_000288; CHEMBL43527; AC1Q3O93; SCHEMBL9655059; KBio3_000575; CHEBI:91532; KBio3_000576; KBio2_002856; KBio2_005424; KBio2_000288; Bio1_000513; HMS1791O10; Bio1_001002; Bio1_000024; HMS1989O10; Bio2_000768; AC-115; IDI1_034038; NCGC00024837-04; NCGC00024837-03; NCGC00024837-02; BRD-A11813248-003-01-6; BRD-A11813248-001-02-8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 569.5
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 11
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C26H30Cl2N2O6S
  IUPAC Name: benzoic acid;N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
  Canonical SMILES: CN(CCC1=CC(=C(C=C1)Cl)Cl)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O.C1=CC=C(C=C1)C(=O)O
  InChI: InChI=1S/C19H24Cl2N2O4S.C7H6O2/c1-23(10-9-14-3-8-18(20)19(21)11-14)12-16(24)13-27-17-6-4-15(5-7-17)22-28(2,25)26;8-7(9)6-4-2-1-3-5-6/h3-8,11,16,22,24H,9-10,12-13H2,1-2H3;1-5H,(H,8,9)
  InChIKey: KLXOTINBPRNEFS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 133104
  CAS Number: 178894-81-0
  TTD ID: D03KGJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]

References

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• [8] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 455).
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• [10] Synthesis and evaluation of 6,11-ethanohexahydrobenzo[b]quinolizidines: a new class of noncompetitive N-methyl-D-aspartate antagonists. J Med Chem. 1995 Jun 23;38(13):2483-9.
• [11] Indeno[1,2-b]pyrazin-2,3-diones: a new class of antagonists at the glycine site of the NMDA receptor with potent in vivo activity. J Med Chem. 2000 Jun 15;43(12):2371-81.