General Information of the Compound
Compound ID
CP0108124
Compound Name
[2-(1H-imidazol-5-yl)cyclopropyl]methanamine
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Structure
Formula
C7H11N3
Molecular Weight
137.186
Canonical SMILES
NCC1CC1c1c[nH]cn1
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InChI
InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)
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InChIKey
LMFNLINKCDGRTE-UHFFFAOYSA-N
Physicochemical Property
logP
0.4719
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 9793791
SID: 14747733
ChEMBL ID
CHEMBL153284
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 = 19.5 nM
   TI
   LI
   LO
   TS
2
Ki = 35.48 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)  1
1
EC50 = 1096.48 nM
   TI
   LI
   LO
   TS