General Information of the Compound
Compound ID
CP0502024
Compound Name
2-(2-pyrrolidin-1-ylethyl)phenol
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Synonyms
2-(2-(pyrrolidin-1-yl)ethyl)phenol
CHEMBL273002
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Structure
Formula
C12H17NO
Molecular Weight
191.274
Canonical SMILES
Oc1ccccc1CCN1CCCC1
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InChI
InChI=1S/C12H17NO/c14-12-6-2-1-5-11(12)7-10-13-8-3-4-9-13/h1-2,5-6,14H,3-4,7-10H2
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InChIKey
MCYUAYDQGCYEGH-UHFFFAOYSA-N
Physicochemical Property
logP
2.0305
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 44456361
ChEMBL ID
CHEMBL273002
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 270 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-(pyrrolidin-1-yl)ethyl)phenol )
Drug Name 2-(2-(pyrrolidin-1-yl)ethyl)phenol
Target(s)
Histamine H3 receptor (H3R)
Inhibitor