General Information of the Compound
Compound ID
CP0110511
Compound Name
(R)-amphetamine
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Synonyms
R(-)amphetamine
l-amphetamine
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Structure
Formula
C9H13N
Molecular Weight
135.21
Canonical SMILES
C[C@@H](N)Cc1ccccc1
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InChI
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
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InChIKey
KWTSXDURSIMDCE-MRVPVSSYSA-N
CAS
156-34-3
Physicochemical Property
logP
1.5763
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
10

"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: 32893
SID: 15264861
ChEMBL ID
CHEMBL19393
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: PT03501, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 33.9 nM
   TI
   LI
   LO
   TS
2
EC50 = 169.9 nM
   TI
   LI
   LO
   TS
3
EC50 = 210 nM
   TI
   LI
   LO
   TS
4
EC50 = 214.4 nM
   TI
   LI
   LO
   TS
5
EC50 = 280 nM
   TI
   LI
   LO
   TS
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 1400 nM
   TI
   LI
   LO
   TS
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)  5
1
EC50 = 65 nM
   TI
   LI
   LO
   TS
2
EC50 = 104.5 nM
   TI
   LI
   LO
   TS
3
EC50 = 121 nM
   TI
   LI
   LO
   TS
4
EC50 = 785.5 nM
   TI
   LI
   LO
   TS
5
EC50 = 4960 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
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 250 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 920 nM
   TI
   LI
   LO
   TS
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1300 nM
   TI
   LI
   LO
   TS
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 1700 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 = 1860 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( R(-)amphetamine )
Drug Name R(-)amphetamine
Target(s)
Trace amine-associated receptor-1 (TAAR1)
Agonist