General Information of the Compound
Compound ID
CP0049822
Compound Name
4-[3-(1H-imidazol-5-yl)propyl]piperidine
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Synonyms
4-[3-(1H-IMIDAZOL-4-YL)-PROPYL]-PIPERIDINE
4-[3-(1h-imidazol-4-yl)propyl]piperidine
768358-61-8
AKOS006290761
BDBM50409817
CHEBI:93084
CHEMBL78498
KB-333611
NCGC00167742-01
SCHEMBL15139142
VUF 5681
VUF-5681
ZINC13530263
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Structure
Formula
C11H19N3
Molecular Weight
193.294
Canonical SMILES
C(CC1CCNCC1)Cc1cnc[nH]1
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InChI
InChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14)
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InChIKey
YPGRNKJNOSUCLY-UHFFFAOYSA-N
Physicochemical Property
logP
1.732
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 10330240
SID: 15340308
ChEMBL ID
CHEMBL78498
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  3
1
EC50 = 8.318 nM
   TI
   LI
   LO
   TS
2
Kd = 7.943 nM
   TI
   LI
   LO
   TS
3
Ki = 4.467 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 < 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VUF 5681 )
Drug Name VUF 5681
Target(s)
Histamine H3 receptor (H3R)
Antagonist