General Information of the Compound
Compound ID
CP0153862
Compound Name
4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one
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Synonyms
2-g][1]benzopyran-7-one
4-(4-Phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one
4-(4-phenoxybutoxy)-
4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
5-(4-Phenoxybutoxy)psoralen
5-(4-phenoxybutoxy) psoralen
5-(4-phenoxybutoxy)psoralen
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(4-phenoxybutoxy)-
7H-Furo[3,2-g][1]benzopyran-7-one, 4-(4-phenoxybutoxy)-
7h-furo[3
870653-45-5
A62C114Q0Q
C21H18O5
CHEMBL444449
CTK8F0318
DTXSID80461776
GTPL2554
SCHEMBL2585454
UNII-A62C114Q0Q
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Structure
Formula
C21H18O5
Molecular Weight
350.37
Canonical SMILES
O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
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InChI
InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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InChIKey
KINMYBBFQRSVLL-UHFFFAOYSA-N
Physicochemical Property
logP
4.7772
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
61.81
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 11302540
SID: 16390957
ChEMBL ID
CHEMBL444449
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: PT00984, Intermediate conductance calcium-activated potassium channel protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 10000 nM
Protein ID: PT02933, Potassium voltage-gated channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 250 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 65 nM
Protein ID: PT03487, Potassium voltage-gated channel subfamily A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 450 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 250 nM
Protein ID: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 24 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2 nM
Protein ID: PT05924, Potassium voltage-gated channel subfamily A member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 75 nM
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 88 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3450 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 45 nM
Protein ID: PT04271, Potassium voltage-gated channel subfamily A member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  3
1
EC50 = 400 nM
   TI
   LI
   LO
   TS
2
EC50 = 430 nM
   TI
   LI
   LO
   TS
3
EC50 = 25000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one )
Drug Name 4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor
Voltage-gated potassium channel Kv1.3 (KCNA3)
Inhibitor