General Information of the Compound
Compound ID
CP0396998
Compound Name
(R)-(-)-2-Phenyl-apomorphine hydrochloride
    Show/Hide
Synonyms
(R)-(-)-2-Phenyl-apomorphine hydrochloride
CHEMBL458397
    Show/Hide
Structure
Formula
C23H21NO2
Molecular Weight
343.426
Canonical SMILES
CN1CCc2cc(cc-3c2[C@H]1Cc1ccc(O)c(O)c-31)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H21NO2/c1-24-10-9-16-11-17(14-5-3-2-4-6-14)12-18-21(16)19(24)13-15-7-8-20(25)23(26)22(15)18/h2-8,11-12,19,25-26H,9-10,13H2,1H3/t19-/m1/s1
    Show/Hide
InChIKey
NJWHLJABYCIZPL-LJQANCHMSA-N
Physicochemical Property
logP
4.5169
Rotatable Bonds
1
Heavy Atom Count
26
Polar Areas
43.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 11515697
SID: 16617691
ChEMBL ID
CHEMBL465054
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 = 23 nM
   TI
   LI
   LO
   TS
2
Ki = 11.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 88 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (R)-(-)-2-Phenyl-apomorphine hydrochloride )
Drug Name (R)-(-)-2-Phenyl-apomorphine hydrochloride
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
Dopamine D3 receptor (D3R)
Inhibitor