General Information of the Compound
Compound ID
CP0072206
Compound Name
NORTRIPTYLINE
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Synonyms
(2)10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-.delta.5.gamma.-propylamine
10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptene
10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine
10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta(5,gamma)-propylamine
3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methylpropylamine
3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine
3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine
5-(3-(Methylamino)propylidene)dibenzo(a,e)cyclohepta(1,5)diene
5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene
5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene
AVENTYL HCL
Acetexa
Allegron
Allegron (TN)
Altilev
Ateben
Avantyl
Aventyl
Aventyl (TN)
Demethylamitriptylene
Demethylamitriptyline
Demethylamitryptyline
Desitriptilina
Desitriptyline
Desmethylamitriptylin
Desmethylamitriptyline
Lumbeck
N-Methyl-3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)propylamin
NCI169453
Noramitriptyline
Noritren
Norpress (TN)
Nortrilen
Nortrilen (TN)
Nortriptilina
Nortriptilina [DCIT]
Nortriptylene hydrochloride
Nortriptyline
Nortriptyline (INN)
Nortriptyline [INN:BAN]
Nortriptylinum
Nortriptylinum [INN-Latin]
Nortryptiline
Nortryptyline
Pamelor
Pamelor (TN)
Pamelor hydrochloride
Psychostyl
Sensaval
Sensival Ventyl
Sensoval (TN)
Sesaval
Vividyl
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Structure
Formula
C19H21N
Molecular Weight
263.384
Canonical SMILES
CNCCC=C1c2ccccc2CCc2ccccc12
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InChI
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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InChIKey
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
CAS
72-69-5
Physicochemical Property
logP
3.8264
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 4543
SID: 14799043
ChEMBL ID
CHEMBL445
DrugBank ID
DB00540
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 214 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 = 3000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Potency = 316.2 nM
Protein ID: PT00817, Cytochrome P450 2D6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2600 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Nortriptyline )
Drug Name Nortriptyline
Indication
Depression
Approved
Target(s)
Serotonin transporter (SERT)
Modulator