General Information of the Compound
Compound ID
CP0063736
Compound Name
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
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Synonyms
SK&F-29661
SK-29661
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Structure
Formula
C9H12N2O2S
Molecular Weight
212.274
Canonical SMILES
NS(=O)(=O)c1ccc2CCNCc2c1
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InChI
InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
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InChIKey
UGLLZXSYRBMNOS-UHFFFAOYSA-N
CAS
31404-61-2
Physicochemical Property
logP
-0.0203
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
72.19
Hydrogen Bond Donor Count
2
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: 5226
SID: 15244687
ChEMBL ID
CHEMBL26717
DrugBank ID
DB03468
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SK&F-29661 )
Drug Name SK&F-29661
Target(s)
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor