General Information of the Compound
Compound ID
CP0470894
Compound Name
(R)-(-)-2-methoxy-11-hydroxyaporphine
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Synonyms
(R)-(-)-2-methoxy-11-hydroxyaporphine
2-Methoxy-11-hydroxyaporphine
BDBM50234265
CHEMBL270426
SCHEMBL1204517
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Structure
Formula
C18H19NO2
Molecular Weight
281.355
Canonical SMILES
COc1cc2CCN(C)[C@@H]3Cc4cccc(O)c4-c(c1)c23
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InChI
InChI=1S/C18H19NO2/c1-19-7-6-12-8-13(21-2)10-14-17(12)15(19)9-11-4-3-5-16(20)18(11)14/h3-5,8,10,15,20H,6-7,9H2,1-2H3/t15-/m1/s1
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InChIKey
UGNGRDRWDHJJJI-OAHLLOKOSA-N
Physicochemical Property
logP
3.1529
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
32.7
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).

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PubChem ID
CID: 24766199
SID: 49686166
ChEMBL ID
CHEMBL270426
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: PT00819, 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 = 258 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 = 46 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 235 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-(-)-2-methoxy-11-hydroxyaporphine )
Drug Name (R)-(-)-2-methoxy-11-hydroxyaporphine
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
Dopamine D1 receptor (D1R)
Inhibitor