General Information of the Compound
Compound ID
CP0496673
Compound Name
(R)-(-)-2-Methyl-apomorphine hydrochloride
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Synonyms
(R)-(-)-2-Methyl-apomorphine hydrochloride
CHEMBL507567
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Structure
Formula
C18H19NO2
Molecular Weight
281.355
Canonical SMILES
CN1CCc2cc(C)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
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InChI
InChI=1S/C18H19NO2/c1-10-7-12-5-6-19(2)14-9-11-3-4-15(20)18(21)17(11)13(8-10)16(12)14/h3-4,7-8,14,20-21H,5-6,9H2,1-2H3/t14-/m1/s1
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InChIKey
QRJZCXSRTBCYIW-CQSZACIVSA-N
Physicochemical Property
logP
3.15832
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
43.7
Hydrogen Bond Donor Count
2
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: 44567292
ChEMBL ID
CHEMBL557547
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: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 43 nM
   TI
   LI
   LO
   TS
2
Ki = 20.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-(-)-2-Methyl-apomorphine hydrochloride )
Drug Name (R)-(-)-2-Methyl-apomorphine hydrochloride
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
Dopamine D3 receptor (D3R)
Inhibitor