General Information of the Compound
Compound ID
CP0372431
Compound Name
3-Naphthalen-1-yl-pyrrolidine
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Synonyms
178483-14-2
3-(1-NAPHTHYL)PYRROLIDINE
3-(naphthalen-1-yl)pyrrolidine
3-Naphthalen-1-yl-pyrrolidine
5967AD
AKOS011343953
BDBM50290933
CHEMBL311972
CTK5J7733
SCHEMBL8878356
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Structure
Formula
C14H15N
Molecular Weight
197.281
Canonical SMILES
C1CC(CN1)c1cccc2ccccc12
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InChI
InChI=1S/C14H15N/c1-2-6-13-11(4-1)5-3-7-14(13)12-8-9-15-10-12/h1-7,12,15H,8-10H2
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InChIKey
KTMCVZGLGDBGJZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9167
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 10584082
SID: 15612564
ChEMBL ID
CHEMBL311972
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: PT01448, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 95 nM
   TI
   LI
   LO
   TS
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)  1
1
Ki = 264 nM
   TI
   LI
   LO
   TS
Protein ID: PT01366, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-Naphthalen-1-yl-pyrrolidine )
Drug Name 3-Naphthalen-1-yl-pyrrolidine
Target(s)
Dopamine D2 receptor (D2R)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor