General Information of the Compound
Compound ID
CP0083432
Compound Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline
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Synonyms
1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline
1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE
1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline
1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline
4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene
58-74-2
6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline
6,7-Dimethoxy-1-veratrylisoquinoline
Alapav
Alapav (TN)
Albatran (TN)
Artegodan (TN)
Cardiospan
Cardiospan (TN)
Cardioverina (TN)
Cardoverina
Cepaverin (TN)
Ceraspan
Cerebid
Cerebid (TN)
Cerespan
Cerespan (TN)
Chlorhydrate de papaverine
Delapav
Delapav (TN)
Dicertan (TN)
Dilaves
Dilaves (TN)
Dispamil
Dispamil (TN)
Drapavel
Drapavel (TN)
Durapav
Durapav (TN)
Dynovas
Dynovas (TN)
Forpaven (TN)
Forpavin
Genabid
Houde (TN)
Isoquinoline, 6,7-dimethoxy-1-veratryl-
Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl)
Isoquinoline,6,7-dimethoxy-1-veratryl-(8CI)
Mesotina
Mesotina (TN)
Myobid
Myobid (TN)
NSC 136630
Opdensit (TN)
Optenyl (TN)
PAP H
Pameion
Pameion (TN)
Pamelon
Pamelon (TN)
Panergon
Panergon (TN)
Pap-Kaps-150 (TN)
Papacon
Papacon (TN)
Papalease
Papalease (TN)
Papanerin
Papanerin-hcl
Papanerin-hcl (TN)
Papanerine
Papavarine chlorhydrate
Papaverin
Papaverin-Hamelin (TN)
Papaverina
Papaverina [Italian]
Papaverine
Papaverine (BAN)
Papaverine Hcl
Papaverine [BAN]
Papaverine chlorohydrate
Papaverine monohydrochloride
Papaverinium chloride
Papaversan
Papaversan (TN)
Papital TR
Papital TR (TN)
Paptial TR
Paptial TR (TN)
Pavabid
Pavabid (TN)
Pavabid Hp
Pavacap
Pavacap (TN)
Pavacels
Pavacen
Pavacen (TN)
Pavacot
Pavadel (TN)
Pavadyl (TN)
Pavagen
Pavagen (TN)
Pavakey (TN)
Pavarine
Pavased (TN)
Pavatest
Pavatest (TN)
Pavatine
Pavatym
Paverina (TN)
Paverolan
Paverolan (TN)
Paveron
Paveron (TN)
Pavnell
Pavnell (TN)
Qua bid
Qua bid (TN)
RS 47
Ro-Papav
Ro-Papav (TN)
Robaxapap
S-M-R
Spasmo-Nit (TN)
TNP00305
Therapav (TN)
UNII-DAA13NKG2Q
Vasal
Vasal (TN)
Vaso-Pav
Vaso-Pav (TN)
Vasospan (TN)
papaverine
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Structure
Formula
C20H21NO4
Molecular Weight
339.391
Canonical SMILES
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
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InChI
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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InChIKey
XQYZDYMELSJDRZ-UHFFFAOYSA-N
CAS
58-74-2
Physicochemical Property
logP
3.86
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
49.81
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 4680
SID: 14875623
ChEMBL ID
CHEMBL19224
DrugBank ID
DB01113
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: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 23130 nM
   TI
   LI
   LO
   TS
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 17 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21 nM
2 IC50 = 36 nM
3 IC50 = 38 nM
4 IC50 = 40 nM
5 IC50 = 92.3 nM
6 IC50 = 97 nM
7 IC50 = 210 nM
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 279 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 284 nM
2 IC50 = 287 nM
3 IC50 = 917 nM
4 IC50 = 1300 nM
Protein ID: PT01730, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 417 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1030 nM
Protein ID: PT02805, CREB-binding protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Potency = 7943.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01049, Cytochrome P450 2C19
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 762 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Papaverine )
Drug Name Papaverine
Indication
Spasm
Approved
Target(s)
Phosphodiesterase 5A (PDE5A)
Inhibitor
Phosphodiesterase 4D (PDE4D)
Inhibitor