Molecular Details

DICL_CP_0319456 - N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0319456

PubChem CID

4543

Molecular Formula

C₁₉H₂₁N

Molecular Weight

263.384 g/mol

Synonyms/Alias

[nortriptyline; 72-69-5; Aventyl; Desitriptilina; Noramitriptyline; Lumbeck; Avantyl; Desmethylamitriptyline; Noritren; Sensaval; Ateben; Demethylamitriptyline; Sesaval; Nortryptiline; Nortryptyline; ...[nortriptyline; 72-69-5; Aventyl; Desitriptilina; Noramitriptyline; Lumbeck; Avantyl; Desmethylamitriptyline; Noritren; Sensaval; Ateben; Demethylamitriptyline; Sesaval; Nortryptiline; Nortryptyline; Demethylamitryptyline; Pamelor; Nortriptylinum; Nortrilen; Nortriptilina; Amitryptyline; demethyl-; Psychostyl; Nortriptylinum [INN-Latin]; nortriptylina; CCRIS 9175; UNII-BL03SY4LXB; BL03SY4LXB; 1-Propanamine; 3-(10;11-dihydro-5H-dibenzo(a;d)cyclohepten-5-ylidene)-N-methyl-; EINECS 200-788-8; NSC-757234; BRN 2216786; CHEBI:7640; Aventyl;Desitriptilina; Nortriptyline (INN); HSDB 3371; 5-(3-Methylaminopropylidene)-10;11-dihydro-5H-dibenzo(a;d)cycloheptene; 3-(10;11-Dihydro-5H-dibenzo[a;d]cyclohepten-5-ylidene)-N-methyl-1-propanamine; Pamelor hydrochloride; 5-(3-(Methylamino)propylidene)dibenzo(a;e)cyclohepta(1;5)diene; NCI-169453; 5-(alpha-Methylaminopropylidene)dibenzo(a;d)cyclohepta(1;4)diene; N-Methyl-3-(10;11-dihydro-5H-dibenzo(a;d)cyclohepten-5-yliden)propylamin; 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; 3-(10;11-Dihydro-5H-dibenzo(a;d)cyclohepten-5-ylidene)-N-methylpropylamine; 3-(10;11-dihydro-5H-dibenzo[a;d][7]annulen-5-ylidene)-N-methylpropan-1-amine; Desitriptyline; DTXSID9023384; Nortriptylene hydrochloride; 1-Propanamine; 3-(10;11-dihydro-5H-dibenzo[a;d]cyclohepten-5-ylidene)-N-methyl-; 5H-Dibenzo(a;d)cycloheptene-delta(sup 5);gamma-propylamine; 10;11-dihydro-N-methyl-; NSC 757234; Desmethylamitriptylin; Nortriptilina [DCIT]; NSC169453; NORTRIPTYLINE [INN]; Nortriptylinum (INN-Latin); Nortriptyline [INN:BAN]; Demethylamitriptylene; 10;11-dihydro-N-methyl-5H-dibenzo[a;d]cycloheptene-Delta(5;gamma)-propylamine; 3-(10;11-DIHYDRO-5H-DIBENZO(A;D)(7)ANNULEN-5-YLIDENE)-N-METHYLPROPAN-1-AMINE; Nortrilen (TN); NSC78248; CAS-894-71-3; Lambeck; 5-[3-(Methylamino)propylidene]dibenzo[a;E]cyclohepta[1;5]diene; Triptyline-M nor; 10;11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a;d][1;4]cycloheptene; 10;11-dihydro-N-methyl-5H-dibenzo(a;d)cycloheptene-delta5;gamma-propylamine; 10;11-dihydro-N-methyl-5H-dibenzo[a;d]cycloheptene-Delta5;gamma-propylamine; 3-(10;11-dihydro-5H-dibenzo(a;d)cyclohepten-5-ylidene)-N-methyl-1-propanamine; 3-(10;11-Dihydro-5H-dibenzo[a;d]cyclohepten-5-ylidene)-N-methylpropylamine; Demethylamitryptylene; NCI169453; Spectrum_001041; Psychostyl (Salt/Mix); Prestwick0_000254; Prestwick1_000254; Prestwick2_000254; Prestwick3_000254; Spectrum2_000997; Spectrum3_000526; Spectrum4_000455; Spectrum5_001377; Lopac-N-7261; NORTRIPTYLINE [MI]; CHEMBL445; Nortiptylinum (INN-Latin); NCIStruc1_000856; NCIStruc2_000700; NCIOpen2_004361; BIDD:PXR0187; Lopac0_000868; SCHEMBL34527; BSPBio_000068; BSPBio_002111; KBioGR_000870; KBioSS_001521; NORTRIPTYLINE [VANDF]; DivK1c_000151; SPECTRUM1500442; SPBio_001093; SPBio_002287; NORTRIPTYLINE [WHO-DD]; BPBio1_000076; DTXCID903384; GTPL2404; HMS500H13; KBio1_000151; KBio2_001521; KBio2_004089; KBio2_006657; KBio3_001611; N06AA10; NINDS_000151; 3-(10;11-Dihydro-5H-dibenzo; BDBM112777; HMS1920B20; HMS2091J20; KUC112478N; Pharmakon1600-01500442; CCG-38266; NCGC00014483; NSC757234; PDSP1_001805; PDSP2_001788; DB00540; SDCCGSBI-0050843.P006; (2)10;11-Dihydro-N-methyl-5H-dibenzo[a;d]cycloheptene-.delta.5.gamma.-propylamine; IDI1_000151; MRF-0000480; QTL1_000063; NCGC00014483-02; NCGC00014483-03; NCGC00014483-04; NCGC00014483-05; NCGC00014483-06; NCGC00014483-07; NCGC00014483-08; NCGC00014483-09; NCGC00014483-10; NCGC00014483-11; NCGC00014483-12; NCGC00014483-14; NCGC00014483-16; NCGC00014483-23; NCGC00024261-03; NCGC00024261-04; NCGC00024261-05; NCGC00024261-06; KSC-315-028-; methyl({3-[(2E)-tricyclo[9.4.0.0^{3;8}]pentadeca-1(11);3(8);4;6;12;14-hexaen-2-ylidene]propyl})amine; MS-23718; N-methyl-3-(2-tricyclo[9.4.0.03;8]pentadeca-1(15);3;5;7;11;13-hexaenylidene)propan-1-amine; NCI60_001354; SBI-0050843.P004; US8629135; SW-02; DB-240489; HY-118620; AB00052061; CS-0067638; NS00010393; EN300-57709; C07274; D08288; F82279; Q61387; AB00052061_16; SR-01000000223-4; BRD-K91263825-003-03-2; AMITRIPTYLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]; 10;11-Dihydro-N-methyl-5H-dibenzo(a;d)cycloheptane-.DELTA.;.gamma.-propylamine; 10;11-DIHYDRO-N-METHYL-5H-DIBENZO(A;D)CYCLOHEPTENE-D(SUP5;.GAMMA.)-PROPYLAMINE; 10;11-DIHYDRO-N-METHYL-5H-DIBENZO(A;D)CYCLOHEPTENE-D(SUP5;gamma)-PROPYLAMINE; 3-(10;11-Dihydro-5H-dibenzo[a;d][7]annulen-5-ylidene)-N-methyl-1-propanamine; 3-(5;6-dihydrodibenzo[[?];[?]][7]annulen-11-ylidene)-N-methyl-propan-1-amine; 5H-Dibenzo(a;d)cycloheptene-delta(5;gamma)-propylamine; 10;11-dihydro-N-methyl; 5H-Dibenzo[a;d]cycloheptene-.DELTA.5;.gamma.-propylamine; 10;11-dihydro-N-methyl-; 21B; methyl({3-[(2E)-tricyclo[9.4.0.0^{3;8}]pentadeca-1(11);3;5;7;12;14-hexaen-2-ylidene]propyl})amine; methyl(3-{tricyclo[9.4.0.0;3;8]pentadeca-1(15);3;5;7;11;13-hexaen-2-ylidene}propyl)amine]

InChI Key

PHVGLTMQBUFIQQ-UHFFFAOYSA-N

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,6,12-14H...

IUPAC Name

N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

CAS Number

50-48-6

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

41 43 0 0 0 0 0 0 0 0999 V2000
4.9553 -1.3585 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9815 -1.7822 0.5849 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1941 -0.645...

Download SDF File (3506 bytes)

Experimental Data

Activity Data

Target Ion Channel

Two-pore channel subunit TPC2

Uniprot Accession Number

Q8NHX9

Function

Agonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 52000 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

Not specified

Temperature

37 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/febs.15432

URL

N/A (Not available)

PMID

32167471

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.8264

Complexity

85.9147

TPSA (Å²)

12.03

H-Bond Donors

H-Bond Acceptors

Ring Count

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