General Information of the Compound
Compound ID
CP0103545
Compound Name
(-)-5-hydroxy-2-(dipropylamino)tetralin
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Synonyms
6-dipropylaminotetralin-1-ol
(-)-5-hydroxy-2-(dipropylamino)tetralin
1-Naphthalenol,
2-Dipropylamino-5-hydroxy-1,2,3,4-tetrahydronaphthalene
5-Hydroxy-2-(di-n-propylamino)tetralin
5-Hydroxy-2-N,N-dipropylaminotetralin
5-OH-DPAT
5-OH-Dpat
5-hydroxy-2-(dipropylamino)tetralin
5-hydroxy-N,N-dipropyl-2-aminotetralin
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
6-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
6-dipropylaminotetralin-1-ol
68593-96-4
AC1L58V4
BDBM50020221
CHEMBL273273
GTPL128
L000957
SCHEMBL279021
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Structure
Formula
C16H25NO
Molecular Weight
247.382
Canonical SMILES
CCCN(CCC)C1CCc2c(O)cccc2C1
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InChI
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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InChIKey
MDBWEQVKJDMEMK-UHFFFAOYSA-N
CAS
68593-96-4
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: 172267
SID: 15069615
ChEMBL ID
CHEMBL273273
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 = 344 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)  2
1
EC50 = 10.4 nM
   TI
   LI
   LO
   TS
2
EC50 = 41.2 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 6 nM
   TI
   LI
   LO
   TS
2
Ki = 26 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 58.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT00957, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 58.8 nM
   TI
   LI
   LO
   TS
2
Ki = 153 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 = 1.23 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.66 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.36 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 4.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 1.36 nM
   TI
   LI
   LO
   TS
2
Ki = 2.07 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-OH-DPAT )
Drug Name 5-OH-DPAT
Target(s)
5-HT 1B receptor (HTR1B)
Antagonist
Dopamine D3 receptor (D3R)
Inhibitor
Dopamine D2 receptor (D2R)
Inhibitor