Details of the Drug

General Information of Drug (ID: DMUWVGP)

Drug Name
MMDA
Synonyms
MMDA; 5-Methoxy-3,4-methylenedioxyamphetamine; (+-)-MMDA; DEA No. 7401; 13674-05-0; 3-Methoxy-4,5-methylenedioxyphenylisopropylamine; Amphetamine, 3,4-methylenedioxy-5-methoxy; 3-Methoxy-alpha-methyl-4,5-methylenedioxyphenethylamine; BRN 1246630; Phenethylamine, alpha-methyl-3-methoxy-4,5-(methylenedioxy)-; 1,3-benzodioxole-5-ethanamine, 7-methoxy-alpha-methyl-; 3-Methoxy-4,5-methylenedioxyamphetamine; beta-Methoxy-alpha-methyl-4,5-(methylenedioxy)phenethyl amine; Phenethylamine, 3-methoxy-alpha-methyl-4,5-(methylenedio
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 209.24
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H15NO3
IUPAC Name
1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
Canonical SMILES
CC(CC1=CC2=C(C(=C1)OC)OCO2)N
InChI
InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKey
YQYUWUKDEVZFDB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
26175
CAS Number
13674-05-0
UNII
RG7FY73ZAA
DrugBank ID
DB01442
TTD ID
D0I4ME
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
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_HUMAN Agonist [1]
Dopamine transporter (DAT) TTVBI8W SC6A3_HUMAN Modulator [1]
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Antagonist [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Antagonist [1]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Modulator [1]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Modulator [1]
Synaptic vesicle amine transporter (SLC18A2) TTNZRI3 VMAT2_HUMAN Antagonist [1]
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
Synaptic vesicle amine transporter (SLC18A2) DTT SLC18A2 2.69E-02 -0.04 -0.11
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.