Details of the Drug

General Information of Drug (ID: DM2Q3CL)

Drug Name
Dimemorfan
Synonyms Dimemorfan (INN); 36309-01-0; SCHEMBL509122
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 255.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C18H25N
IUPAC Name
(1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Canonical SMILES
CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1
InChI
InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey
KBEZZLAAKIIPFK-NJAFHUGGSA-N
Cross-matching ID
PubChem CID
3037918
ChEBI ID
CHEBI:135048
CAS Number
36309-01-0
DrugBank ID
DB13810
TTD ID
D09AUU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor sigma 1 (OPRS1) TT5TPI6 SGMR1_HUMAN Agonist [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome P450 2B6 (CYP2B6) OTOYO4S7 CP2B6_HUMAN Biotransformations [2]
Cytochrome P450 2C19 (CYP2C19) OTFMJYYE CP2CJ_HUMAN Biotransformations [2]
Cytochrome P450 2C9 (CYP2C9) OTGLBN29 CP2C9_HUMAN Biotransformations [2]
Cytochrome P450 2D6 (CYP2D6) OTZJC802 CP2D6_HUMAN Biotransformations [2]
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Biotransformations [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor sigma 1 (OPRS1) DTT SIGMAR1 2.77E-06 -0.12 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Dimemorfan protects rats against ischemic stroke through activation of sigma-1 receptor-mediated mechanisms by decreasing glutamate accumulation. J Neurochem. 2008 Jan;104(2):558-72.
2 The oxidative metabolism of dimemorfan by human cytochrome P450 enzymes. J Pharm Sci. 2010 Feb;99(2):1063-77.