General Information of the Compound
Compound ID
CP0061272
Compound Name
N(alpha)-Methylhistamine
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Synonyms
1H-Imidazole-4-ethanamine, N-methyl-
2-(3H-imidazol-4-yl)-N-methylethanamine
4-(2-Methylaminoethyl)imidazole
Imidazole, 4-(2-(methylamino)ethyl)-
Imidazole, 4-[2-(methylamino)ethyl]-
N(alpha)-methylhistamine
N(sup alpha)-Methylhistamine
N-[3H]alpha-methylhistamine
N-alpha-methyl histamine
N-alpha-methylhistamine
NAMH
Nalpha-Methylhistamine
UNII-Y7QR253130
Y7QR253130
[2-(1H-imidazol-5-yl)ethyl](methyl)amine
[3H]-Na-methylhistamine
[3H]NAMH
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Structure
Formula
C6H11N3
Molecular Weight
125.175
Canonical SMILES
CNCCc1cnc[nH]1
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InChI
InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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InChIKey
PHSPJQZRQAJPPF-UHFFFAOYSA-N
CAS
673-50-7
Physicochemical Property
logP
0.1716
Rotatable Bonds
3
Heavy Atom Count
9
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
9

"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: 912
SID: 15297184
ChEMBL ID
CHEMBL268490
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.3981 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 3.981 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03665, Histamine H3 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 794.33 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 316.23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-[3H]alpha-methylhistamine )
Drug Name N-[3H]alpha-methylhistamine
Target(s)
Histamine H3 receptor (H3R)
 Target Info 
Agonist
Histamine H4 receptor (H4R)
 Target Info 
Agonist