General Information of the Compound
| Compound ID |
CP0010255
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| Compound Name |
(RS)-3,4-(methylenedioxy)methamphetamine
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| Synonyms |
(+-)-(3,4-Methylenedioxy)methamphetamine
(+-)-N-Methyl-3,4-(methylenedioxy)amphetamine
(RS)-3,4-(methylenedioxy)methamphetamine
1,3-Benzodioxole-5-ethanamine, N,alpha-dimethyl-
1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
3,4-Methylenedioxymethamphetamine
3,4-methylenedioxymethamphetamine
42542-10-9
CHEBI:1391
DEA No 7405
DL-(3,4-Methylenedioxy)methamphetamine
Ecstasy
HSDB 6929
MDMA
MDMA (unspecified)
METHYLENEDIOXYMETHAMPHETAMINE
Methylenedioxymethamphetamine
Midomafetamine
N,alpha-Dimethyl-1,3-benzodioxole-5-ethanamine
N-METHYL-3,4-METHYLENEDIOXYAMPHETAMINE
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| Structure |
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| Formula |
C11H15NO2
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| Molecular Weight |
193.246
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| Canonical SMILES |
CNC(C)Cc1ccc2OCOc2c1
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| InChI |
InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
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| InChIKey |
SHXWCVYOXRDMCX-UHFFFAOYSA-N
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| CAS |
42542-10-9
54946-52-0
69610-10-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Protein ID: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT03501, Trace amine-associated receptor 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000006 | HEK293 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 501187.23 nM
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Clinical Information about the Compound
Drug 1 ( METHYLENEDIOXYMETHAMPHETAMINE )
| Drug Name | METHYLENEDIOXYMETHAMPHETAMINE | ||
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| Target(s) |
Serotonin transporter (SERT)
Inhibitor
Dopamine transporter (DAT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor
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