General Information of the Compound
Compound ID
CP0002027
Compound Name
2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine
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Synonyms
(R)-2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine
2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine
2-Methyl-3-(2S-pyrrolidinylmethoxy)pyridine
2-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
A 94224
ABT 089
ABT-089
Pozanicline
Pozanicline (USAN)
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Structure
Formula
C11H16N2O
Molecular Weight
192.262
Canonical SMILES
Cc1ncccc1OC[C@@H]1CCCN1
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InChI
InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
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InChIKey
YRVIKLBSVVNSHF-JTQLQIEISA-N
CAS
161417-03-4
Physicochemical Property
logP
1.52082
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 178052
SID: 15120824
ChEMBL ID
CHEMBL127071
DrugBank ID
DB05458
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000030 LCL Orang Asli K28 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki > 10000 nM
Clinical Information about the Compound
Drug 1 ( ABT-089 )
Drug Name ABT-089
Company Abbott Laboratories
Indication
Dementia
Discontinued in Phase 2
Anxiety disorder
Discontinued in Phase 2
Schizophrenia
Discontinued in Phase 2
Attention deficit hyperactivity disorder
Discontinued in Phase 2