General Information of the Compound
Compound ID
CP0424413
Compound Name
(R)-11-Amino-2-methoxyaporphine
    Show/Hide
Synonyms
(R)-11-Amino-2-methoxyaporphine
CHEMBL506721
    Show/Hide
Structure
Formula
C18H20N2O
Molecular Weight
280.371
Canonical SMILES
COc1cc2CCN(C)[C@@H]3Cc4cccc(N)c4-c(c1)c23
    Show/Hide
InChI
InChI=1S/C18H20N2O/c1-20-7-6-12-8-13(21-2)10-14-17-11(4-3-5-15(17)19)9-16(20)18(12)14/h3-5,8,10,16H,6-7,9,19H2,1-2H3/t16-/m1/s1
    Show/Hide
InChIKey
RHZAGARGKYFZJB-MRXNPFEDSA-N
Physicochemical Property
logP
3.0295
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
38.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44568533
ChEMBL ID
CHEMBL506721
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: PT01448, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 640 nM
   TI
   LI
   LO
   TS
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 78 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-11-Amino-2-methoxyaporphine )
Drug Name (R)-11-Amino-2-methoxyaporphine
Target(s)
Dopamine D1 receptor (D1R)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor