General Information of the Compound
Compound ID
CP0519185
Compound Name
(1H-Benzoimidazol-2-yl)-(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-yl)amine
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Synonyms
Calcium-activated potassium channel modulators, Neurosearch
NS-11757
NS-309
NS-4591
NS-6277
NS-8593
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Structure
Formula
C17H15Cl2N3
Molecular Weight
332.234
Canonical SMILES
Clc1cc2CCCC(Nc3nc4ccccc4[nH]3)c2cc1Cl
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InChI
InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)
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InChIKey
JHLGZRSIUIFADK-UHFFFAOYSA-N
Physicochemical Property
logP
5.3592
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 25102784
SID: 56424199
ChEMBL ID
CHEMBL511710
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: PT04088, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 1810 nM
   TI
   LI
   LO
   TS
2
Kd = 7.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT02468, Small conductance calcium-activated potassium channel protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 9.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NS-11757 )
Drug Name NS-11757
Company NeuroSearch A/S
Indication
Atrial fibrillation
Investigative
Target(s)
ATP-binding cassette transporter C8 (ABCC8)
Modulator