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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 569.5
Logarithm of the Partition Coefficient 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
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Enantiomeric propanolamines as selective N-methyl-D-aspartate 2B receptor antagonists. J Med Chem. 2008 Sep 25;51(18):5506-21.