General Information of the Compound
Compound ID
CP0162854
Compound Name
(+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
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Synonyms
[3H]-7-OH-DPAT
(+)-7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol hydrobromide
(+)7-OH-DPAT
(+/-)-7-hydroxy-2-(N,N-di-n-propylamino)tetralin
2-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-
7-(Dipropylamino)-5,6,7,8-tetrahydro-2-naphthalenol
7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
7-Hydroxy-2-N,N-dipropylaminotetralin
7-Hydroxy-DPAT hydrobromide
7-Hydroxy-N,N-di-n-propyl-2-aminotetralin
7-OH-DPAT
7-Ohdpat
AC1L1AZK
AC1Q7AGR
CHEMBL285755
DP-7-AT
N,N-Di-n-propyl-7-hydroxy-2-aminotetralin
[3H]-7-OH-DPAT
[3H]7-OH-DPAT
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Structure
Formula
C16H25NO
Molecular Weight
247.382
Canonical SMILES
CCCN(CCC)C1CCc2ccc(O)cc2C1
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InChI
InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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InChIKey
BLYMJBIZMIGWFK-UHFFFAOYSA-N
CAS
74938-11-7
Physicochemical Property
logP
3.3715
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 1219
SID: 14847634
ChEMBL ID
CHEMBL285755
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 = 47 nM
   TI
   LI
   LO
   TS
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  3
1
EC50 = 1.88 nM
   TI
   LI
   LO
   TS
2
IC50 = 180 nM
   TI
   LI
   LO
   TS
3
IC50 = 192 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 202 nM
   TI
   LI
   LO
   TS
2
Ki = 311 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 54 nM
2 Ki = 142 nM
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
EC50 = 39.8 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  4
1
Ki = 2.27 nM
   TI
   LI
   LO
   TS
2
Ki = 142 nM
   TI
   LI
   LO
   TS
3
Ki = 143 nM
   TI
   LI
   LO
   TS
4
Ki = 202 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000367 AtT-20 Mus musculus (Mouse)  1
1
EC50 = 0.531 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  6
1
Ki = 1.49 nM
   TI
   LI
   LO
   TS
2
Ki = 1.75 nM
   TI
   LI
   LO
   TS
3
Ki = 2.35 nM
   TI
   LI
   LO
   TS
4
Ki = 3.6 nM
   TI
   LI
   LO
   TS
5
Ki = 270 nM
   TI
   LI
   LO
   TS
6
Ki = 1400 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 2.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
IC50 = 1.11 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.25 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 1.18 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 2.35 nM
   TI
   LI
   LO
   TS
2
Ki = 6.19 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 0.67 nM
2 Ki = 2.9 nM
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 148 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3H]7-OH-DPAT )
Drug Name [3H]7-OH-DPAT
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
Dopamine D3 receptor (D3R)
Agonist