General Information of the Compound
Compound ID
CP0376332
Compound Name
4-(1H-imidazol-5-ylmethyl)pyridine
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Synonyms
4-(1H-imidazol-4-yl-methyl)-pyridine
4-(1H-imidazol-5-ylmethyl)pyridine
4-(3H-imidazol-4-ylmethyl)pyridine
87976-03-2
BCP27655
BDBM22910
CHEBI:92859
CHEMBL82298
DFVSGZHJSIEEQQ-UHFFFAOYSA-N
F8ZT2IBM1X
GTPL4024
Immethridine
NCGC00092368-02
Pyridine, 4-(1H-imidazol-5-ylmethyl)-
Pyridine,4-(1H-imidazol-5-ylmethyl)-
SB17136
SCHEMBL845141
UNII-F8ZT2IBM1X
ZINC12956299
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Structure
Formula
C9H9N3
Molecular Weight
159.192
Canonical SMILES
C(c1cnc[nH]1)c1ccncc1
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InChI
InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
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InChIKey
DFVSGZHJSIEEQQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.3955
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 9989505
SID: 16435196
ChEMBL ID
CHEMBL82298
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)  4
1
EC50 = 0.1585 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.182 nM
   TI
   LI
   LO
   TS
3
Ki = 0.7943 nM
   TI
   LI
   LO
   TS
4
Ki = 0.8511 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 1.1 nM
   TI
   LI
   LO
   TS
2
Ki = 0.77 nM
   TI
   LI
   LO
   TS
3
Ki = 0.7943 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)  3
1
EC50 = 912.01 nM
   TI
   LI
   LO
   TS
2
EC50 = 1000 nM
   TI
   LI
   LO
   TS
3
Ki = 245.47 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 251.19 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Immethridine )
Drug Name Immethridine
Target(s)
Histamine H3 receptor (H3R)
Agonist