General Information of the Compound
Compound ID
CP0398855
Compound Name
2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine
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Synonyms
1H-Imidazo-4-ethanamine, 5-methyl-
1H-Imidazole-4-ethanamine, 5-methyl-
2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHANAMINE
2-(5-Methyl-4-imidazolyl)ethylamine
2-(5-methyl-1H-imidazol-4-yl)ethanamine
36507-31-0
4-Methylhistamine
4-methylhistamine
5(4)-Methylhistamine
5-(2-Aminoethyl)-4-methylimidazole
5-Methylhistamine
54ST71P9EE
AC1L1XS2
BDBM22880
CHEBI:74760
CHEMBL275443
GTPL1269
IMIDAZOLE, 4-(2-AMINOETHYL)-5-METHYL-
Methylhistamine-4
SCHEMBL11452941
SCHEMBL606803
UGYXPZQILZRKJJ-UHFFFAOYSA-N
UNII-54ST71P9EE
p-methylhistamine
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Structure
Formula
C6H11N3
Molecular Weight
125.175
Canonical SMILES
Cc1nc[nH]c1CCN
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InChI
InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
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InChIKey
UGYXPZQILZRKJJ-UHFFFAOYSA-N
Physicochemical Property
logP
0.21932
Rotatable Bonds
2
Heavy Atom Count
9
Polar Areas
54.7
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: 37463
SID: 15218924
ChEMBL ID
CHEMBL275443
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 15848.93 nM
   TI
   LI
   LO
   TS
Protein ID: PT01357, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
EC50 = 2884.03 nM
   TI
   LI
   LO
   TS
2
EC50 = 3162.28 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 7943.28 nM
   TI
   LI
   LO
   TS
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 12400 nM
   TI
   LI
   LO
   TS
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 6309.57 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  3
1
EC50 = 31.62 nM
   TI
   LI
   LO
   TS
2
EC50 = 70.79 nM
   TI
   LI
   LO
   TS
3
Ki = 50.12 nM
   TI
   LI
   LO
   TS
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 = 39.81 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-methylhistamine )
Drug Name 4-methylhistamine
Target(s)
Histamine H4 receptor (H4R)
Agonist