General Information of the Compound
Compound ID
CP0169088
Compound Name
(2S)-N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
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Synonyms
AS 19
AS-19
AS19
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Structure
Formula
C18H25N3
Molecular Weight
283.419
Canonical SMILES
CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C
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InChI
InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
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InChIKey
BTTOYOKCLDAHHO-HNNXBMFYSA-N
Physicochemical Property
logP
3.12284
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
21.06
Hydrogen Bond Donor Count
0
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: 23642275
SID: 46502276
ChEMBL ID
CHEMBL2164327
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 240 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 89.7 nM
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
Ki = 0.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.6 nM
Clinical Information about the Compound
Drug 1 ( AS-19 )
Drug Name AS-19
Target(s)
5-HT 7 receptor (HTR7)
Agonist