General Information of the Compound
Compound ID
CP0897154
Compound Name
6,10-diaza-3(1,3),8(1,4)-dibenzena-1,5(1,4)-diquinolinacyclodecaphane
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Synonyms
UCL-1684
UCL1684
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Structure
Formula
C34H30N4+2
Molecular Weight
494.642
Canonical SMILES
c1cc2cc(c1)C[n+]1ccc(c3ccccc31)NCc1ccc(cc1)CNc1cc[n+](c3ccccc13)C2
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InChI
InChI=1S/C34H28N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20H,21-24H2/p+2
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InChIKey
HZWVJPDDZQOYGA-UHFFFAOYSA-P
Physicochemical Property
logP
6.2022
Rotatable Bonds
0
Heavy Atom Count
38
Polar Areas
31.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
38

"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: 656733
ChEMBL ID
CHEMBL1178830
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: 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)  2
1
Kd = 2.7 nM
   TI
   LI
   LO
   TS
2
Ki = 1.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4.1 nM
Clinical Information about the Compound
Drug 1 ( UCL1684 )
Drug Name UCL1684
Target(s)
Calcium-activated potassium channel KCa2.2 (KCNN2)
Blocker (channel blocker)
Calcium-activated potassium channel KCa2.3 (KCNN3)
Blocker (channel blocker)
Calcium-activated potassium channel KCa2.1 (KCNN1)
Blocker (channel blocker)