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]
------------------------------------------------------------------------------------

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
DrugBank ID: DB01442
TTD ID: D0I4ME

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)

MIA Detail

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)

MEA Detail

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.