General Information of the Compound
Compound ID
CP0376707
Compound Name
4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine
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Synonyms
4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine
4-(3H-imidazol-4-ylmethyl)-1-methylpiperidine
AKOS027324257
BDBM22909
CHEMBL175782
GTPL1254
L009044
Methimepip
SCHEMBL8320104
ZINC6716245
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Structure
Formula
C10H17N3
Molecular Weight
179.267
Canonical SMILES
CN1CCC(Cc2cnc[nH]2)CC1
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InChI
InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
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InChIKey
KIAVPENCSGKVQP-UHFFFAOYSA-N
Physicochemical Property
logP
1.294
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 11313837
SID: 16557355
ChEMBL ID
CHEMBL175782
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki < 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01357, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki < 10000 nM
   TI
   LI
   LO
   TS
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)  2
1
EC50 = 0.3162 nM
   TI
   LI
   LO
   TS
2
Ki = 1 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1 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)  2
1
EC50 = 5011.87 nM
   TI
   LI
   LO
   TS
2
Ki = 1995.26 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 1995.26 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Methimepip )
Drug Name Methimepip
Target(s)
Histamine H3 receptor (H3R)
Agonist