General Information of the Compound
Compound ID
CP0046619
Compound Name
Adalat
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Synonyms
AWD Pharma Brand of Nifedipine
Adalat
Adalat (TN)
Adalat 10
Adalat 20
Adalat 5
Adalat CC
Adalat CR
Adalat Crono
Adalat FT
Adalat GITS
Adalat GITS 30
Adalat LA
Adalat LP
Adalat Oros
Adalat PA
Adalat Retard
Adalat XL
Adalate
Adalate LP
Adapine
Adapress
Adcock Ingram Brand of Nifedipine
Adipine XL
Afeditab
Afeditab CR
Afeditab CR (TN)
Alat
Aldipin
Alfadal
Alonix
Alonix S
Alpha-Nifedipine Retard;Apo-Nifed
Angipec
Anifed
Anpine
Aprical
Aprical long
Bay-1040
Bay-a-1040
Bay1040
Bayer Brand of Nifedipine
Bonacid
Calcibloc
Calcigard
Calcilat
Camont
Cardifen
Cardilat
Cardionorm
Chronadalate
Chronadalate LP
Citilat
Coracten
Coracten XL
Coral
Cordafen
Cordaflex
Cordalat
Cordicant
Cordilan
Cordipin
Cordipine
Corinfar
Corotrend
Corynphar
Depin
Dignokonstant
Dilafed
Dipinkor
Duranifin
Ecodipi
Ecodipin
Ecodipin E
Emaberin
Fedcor
Fedcor Retard
Fenamon
Fenamon SR
Fenigidin
Fenihidin
Fenihidine
Fortipine LA
Glopir
Hadipin
Hexadilat
Infedipin
Introcar
KB-1712P
KRKA Brand of Nifedipine
Kordafen
Korinfar
Macorel
Megalat
Monohydrochloride, Nifedipine
Myogard
N 7634
N1fedilat
Nedipin
Nicardia
Nifangin
Nifar
Nifdemin
Nifebene
Nifecard
Nifecor
Nifedepat
Nifediac
Nifedical
Nifedical (TN)
Nifedical XL
Nifedicor
Nifedin
Nifedine
Nifedipine
Nifedipine (JP15/USP/INN)
Nifedipine Bayer Brand
Nifedipine GTIS
Nifedipine KRKA Brand
Nifedipine Monohydrochloride
Nifedipine Orion Brand
Nifedipine Pfizer Brand
Nifedipine Retard
Nifedipine [USAN:BAN:INN:JAN]
Nifedipine-GTIS
Nifedipino
Nifedipino [INN-Spanish]
Nifedipinum
Nifedipinum [INN-Latin]
Nifedipres
Nifedirex LP
Nifelan
Nifelat
Nifelat Q
Nifelate
Nifensar XL
Nificard
Nifidine
Nifipen
Niphedipine
Orion Brand of Nifedipine
Orix
Oxcord
Pfizer Brand of Nifedipine
Pidilat
Procardia
Procardia (TN)
Procardia XL
Sepamit
Slofedipine XL
Tensipine MR
Tibricol
Vascard
Zenusin
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Structure
Formula
C17H18N2O6
Molecular Weight
346.339
Canonical SMILES
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
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InChI
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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InChIKey
HYIMSNHJOBLJNT-UHFFFAOYSA-N
CAS
101554-38-5
21829-25-4
101539-70-2
Physicochemical Property
logP
2.1756
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
107.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 4485
SID: 12014071
ChEMBL ID
CHEMBL193
DrugBank ID
DB01115
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 22200 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 8290 nM
   TI
   LI
   LO
   TS
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 = 16600 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 64000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01002, Cytochrome P450 1A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 46000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06300, Indoleamine 2,3-dioxygenase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 5173.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 6100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 50118.72 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50118.72 nM
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
Protein ID: PT01175, Voltage-dependent L-type calcium channel subunit alpha-1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 1350 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Nifedipine )
Drug Name Nifedipine
Company Bayer
Indication
Angina pectoris
Approved