General Information of the Compound
Compound ID
CP0118587
Compound Name
6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; hydrochloride
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Synonyms
(+-)-N-n-Propylnorapomorphine
10,11-Dihydroxy-6-propylnoraporphine
4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-
57559-68-9
6-Propyl- 5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol
6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol
AC1L1IVU
GTPL934
N-n-Propylnorapomorphine
N-propylnorapomorphine
Propyl-norapomorphine
Propylnorapomorphine
R(-)-PROPYLNORAPOMORPHINE
SCHEMBL249729
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Structure
Formula
C19H21NO2
Molecular Weight
295.382
Canonical SMILES
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
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InChI
InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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InChIKey
BTGAJCKRXPNBFI-OAHLLOKOSA-N
CAS
18426-20-5
Physicochemical Property
logP
3.6301
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
43.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 167715
SID: 12015717
ChEMBL ID
CHEMBL225230
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Kd = 1816 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1 nM
2 Ki = 490 nM
3 Ki = 1510 nM
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000049 C6 Rattus norvegicus (Rat)  2
1
Kd = 9 nM
   TI
   LI
   LO
   TS
2
Kd = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.18 nM
2 Ki = 0.8 nM
3 Ki = 10 nM
4 Ki = 54 nM
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Kd = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 50 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 26121.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-propylnorapomorphine )
Drug Name N-propylnorapomorphine
Target(s)
Dopamine D5 receptor (D5R)
Agonist
Dopamine D1 receptor (D1R)
Agonist
Dopamine D3 receptor (D3R)
Agonist
Dopamine D2 receptor (D2R)
Inhibitor