Details of the Drug

General Information of Drug (ID: DM3ORVD)

Drug Name
Neramexane
Synonyms Neramexane [INN]; Mrz 2579; MRZ 2-579; 1,3,3,5,5-Pentamethylcyclohexanamine; 1,3,3,5,5-pentamethylcyclohexan-1-amine
Indication
Disease Entry ICD 11 Status REF
Cancer related pain MG30 Phase 2 [1]
Therapeutic Class
Analgesics
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 169.31
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C11H23N
IUPAC Name
1,3,3,5,5-pentamethylcyclohexan-1-amine
Canonical SMILES
CC1(CC(CC(C1)(C)N)(C)C)C
InChI
InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3
InChIKey
OGZQTTHDGQBLBT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6433106
CAS Number
219810-59-0
UNII
856DX0KJ84
DrugBank ID
DB04926
TTD ID
D01KMR
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging analgesics in cancer pain management. Expert Opin Emerg Drugs. 2005 Feb;10(1):151-71.