General Information of the Compound
| Compound ID |
CP0036382
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| Compound Name |
CAS_52-53-9
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| Synonyms |
(+-)-Verapamil
(+/-)-VERAPAMIL
(1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile
2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
52-53-9
Alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile
Alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile
Alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile
Arpamyl
Bosoptin (TN)
C
CCRIS 6749
CP-16533-1
Calan
Calan (TN)
Calcan
Cordilox
Covera-HS
Covera-HS (TN)
D-365
Dexverapamil
Dilacoran
Drosteakard
Falicard
Finoptin
Iproveratril
Isoptimo
Isoptin
Isoptin (TN)
Isoptin SR
Isoptine
Isotopin
Izoptin
Lekoptin
Securon
Tarka
VERAPAMIL
Vasolan
Veracim
Verapamil
Verapamil (Na-Ca chanel blocker)
Verapamil (USAN/INN)
Verapamil [USAN:BAN:INN]
Verapamil [USAN:INN:BAN]
Verapamilo
Verapamilo [INN-Spanish]
Verapamilum
Verapamilum [INN-Latin]
Veraptin
Verelan
Verelan (TN)
Verelan PM
Verexamil
Verpamil
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| Structure |
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| Formula |
C27H38N2O4
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| Molecular Weight |
454.611
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| Canonical SMILES |
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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| InChIKey |
SGTNSNPWRIOYBX-UHFFFAOYSA-N
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| CAS |
52-53-9
56949-77-0
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Protein ID: PT06079, ATP-dependent translocase ABCB1
Protein ID: PT01685, ATP-dependent translocase ABCB1
Protein ID: PT04542, Bile salt export pump
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1
Cell-based Assay
Protein ID: PT02298, Potassium voltage-gated channel subfamily A member 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound
Drug 1 ( Verapamil )
| Drug Name | Verapamil | ||
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| Company | Pfizer Inc | ||
| Indication | |||
| Target(s) |
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G)
Blocker
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