General Information of the Compound
Compound ID
CP0379778
Compound Name
(R)Methamphetamine
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Structure
Formula
C10H15N
Molecular Weight
149.237
Canonical SMILES
CN[C@H](C)Cc1ccccc1
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InChI
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
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InChIKey
MYWUZJCMWCOHBA-SECBINFHSA-N
CAS
33817-09-3
Physicochemical Property
logP
1.837
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"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).

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PubChem ID
CID: 36604
SID: 15146826
ChEMBL ID
CHEMBL1927030
DrugBank ID
DB09571
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03226, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  4
1
EC50 = 125.5 nM
   TI
   LI
   LO
   TS
2
EC50 = 843.3 nM
   TI
   LI
   LO
   TS
3
EC50 = 1596 nM
   TI
   LI
   LO
   TS
4
EC50 = 2440 nM
   TI
   LI
   LO
   TS
Protein ID: PT03501, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  4
1
EC50 = 233.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 330.4 nM
   TI
   LI
   LO
   TS
3
EC50 = 1109 nM
   TI
   LI
   LO
   TS
4
EC50 = 1190 nM
   TI
   LI
   LO
   TS
Protein ID: PT06422, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2500 nM
   TI
   LI
   LO
   TS
Protein ID: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3300 nM
   TI
   LI
   LO
   TS