General Information of the Compound
Compound ID
CP0056774
Compound Name
5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969)
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Synonyms
2ISE72RACC
5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
66611-26-5
AC1L337E
AC1Q4F1Q
AKOS005135871
API0006969
BDBM81498
BPBio1_000177
Biomol-NT_000116
CAS_108028
CHEBI:92005
CHEMBL18785
CS-3218
CTK1J4546
DTXSID40276045
GTPL23
KRVMLPUDAOWOGN-UHFFFAOYSA-N
MCULE-3532976182
MolPort-003-983-322
NCGC00024867-01
PDSP1_001617
PDSP1_001623
PDSP2_001601
PDSP2_001607
RU 24969
RU-24,969
RU-24969
SCHEMBL2359264
Tocris-0912
UNII-2ISE72RACC
ZINC2568243
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Structure
Formula
C14H16N2O
Molecular Weight
228.295
Canonical SMILES
COc1ccc2[nH]cc(C3=CCNCC3)c2c1
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InChI
InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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InChIKey
KRVMLPUDAOWOGN-UHFFFAOYSA-N
Physicochemical Property
logP
2.5532
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
37.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 108029
SID: 15220624
ChEMBL ID
CHEMBL18785
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: PT01354, 5-hydroxytryptamine receptor 6
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 79 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( RU 24969 )
Drug Name RU 24969