General Information of the Compound
Compound ID
CP0047136
Compound Name
(2R)-1-(1H-imidazol-5-yl)propan-2-amine
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Synonyms
(2R)-1-(1H-imidazol-4-yl)propan-2-amine
(2R)-1-(1H-imidazol-5-yl)propan-2-amine
(2R)-1-(3H-imidazol-4-yl)propan-2-amine
(R)-(-)-4-(2-aminopropyl)imidazole
(R)-(-)-alpha-methylhistamine
(R)-[3H]alpha-methylhistamine
(R)-alpha-Methylhistamine
(R)-alpha-methylhistamine
(R)alpha-Me-histamine
1H-Imidazole-4-ethanamine, alpha-methyl-, (alphaR)-
75614-87-8
Alpha-Methylhistamine-R
C6H11N3
CHEBI:73337
CHEMBL268229
[3H](R)-alpha-methylhistamine
[3H]-R-alpha-Methylhistamine
r-alpha-methylhistamine
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Structure
Formula
C6H11N3
Molecular Weight
125.175
Canonical SMILES
C[C@@H](N)Cc1cnc[nH]1
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InChI
InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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InChIKey
XNQIOISZPFVUFG-RXMQYKEDSA-N
CAS
75614-87-8
Physicochemical Property
logP
0.2994
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: 156615
SID: 16093057
ChEMBL ID
CHEMBL268229
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)  5
1
EC50 = 0.3162 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 0.6761 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 0.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
Ki = 4.365 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
Ki = 6.31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  4
1
EC50 = 2.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 0.55 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 1.995 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
Ki = 2.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 2.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 6.31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 63.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.7 nM
2 Ki = 0.88 nM
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)  3
1
EC50 = 630.96 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 1122.02 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 184 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 251.19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 146 nM
Clinical Information about the Compound
Drug 1 ( (R)-alpha-methylhistamine )
Drug Name (R)-alpha-methylhistamine
Target(s)
Histamine H4 receptor (H4R)
 Target Info 
Agonist
Histamine H3 receptor (H3R)
 Target Info 
Agonist