General Information of the Compound
Compound ID
CP0035979
Compound Name
7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydrochloride
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Synonyms
SK&F-64139
SK-64139
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Structure
Formula
C9H9Cl2N
Molecular Weight
202.084
Canonical SMILES
Clc1ccc2CCNCc2c1Cl
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InChI
InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
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InChIKey
WFPUBEDBBOGGIQ-UHFFFAOYSA-N
CAS
61563-24-4
Physicochemical Property
logP
2.6391
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
12

"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: 123920
SID: 15188888
ChEMBL ID
CHEMBL287837
DrugBank ID
DB08550
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 = 6520 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SK&F-64139 )
Drug Name SK&F-64139
Target(s)
Adrenergic receptor alpha-2B (ADRA2B)
Inhibitor
Adrenergic receptor alpha-2C (ADRA2C)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor