General Information of the Compound
Compound ID
CP0047517
Compound Name
(1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine
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Synonyms
(1S,2S)-2-(3H-Imidazol-4-yl)-cyclopropylamine
AKOS006351626
BDBM50127605
CHEMBL13795
SCHEMBL7508989
VUF-5297
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Structure
Formula
C6H9N3
Molecular Weight
123.159
Canonical SMILES
N[C@H]1C[C@@H]1c1cnc[nH]1
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InChI
InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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InChIKey
OWWNABDDYQLERE-WHFBIAKZSA-N
Physicochemical Property
logP
0.2243
Rotatable Bonds
1
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: 10374457
SID: 15388343
ChEMBL ID
CHEMBL13795
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)  2
1
EC50 = 5.888 nM
   TI
   LI
   LO
   TS
2
Ki = 9.333 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 42 nM
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)  1
1
EC50 = 7079.46 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VUF-5297 )
Drug Name VUF-5297
Target(s)
Histamine H3 receptor (H3R)
Inhibitor