Substance

ID:1824342

Names and Identifiers
Brand Name
CialisAdcirca
IUPAC name
(2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),11,13,15-tetraene-4,7-dione
IUPAC Traditional name
(2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Synonyms
tadalafil(6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-(methylenedioxy)phenyl) pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione(6R-trans)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE
International Nonproprietary Name (INN)
tadalafil
Registration numbers
PubChem CID
110635
CAS Number
171596-29-5
DrugBank ID
DB00820
LINCS Database
LSM-4109
Reaxys Registry
9589181
ACToR Database
171596-29-5
BKMS React Database
1339
BRENDA Ligand Database
1339
CHEMBL
CHEMBL779
CompTox Database
DTXSID9046786
MetaboLights Database
MTBLS4820MTBLS1693MTBLS3750
Protein Data Bank
1udu1xoz
SureChEMBL Database
SCHEMBL33333
UniProt Database
Q9HCR9
HMDB Database
HMDB0014958
PDBeChem Database
CIA
Wikipedia Title
Tadalafil
EnzymePortal Database
Q9HCR9
Drug Central Database
2,553
BindingDB Database
14777
KEGG DRUG Database
D02008
PubChem SID
160709391
Properties
No Data Available
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Molecule Details
A pyrazinopyridoindole that is 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione substituted at position 2 by a methyl group and at position 6 by a 1,3-benzodioxol-5-yl group (the 6R,12aR-diastereomer). A phosphodiesterase V inhibitor inhibitor, currently marketed in pill form for treating erectile dysfunction under the name Cialis; and under the name Adcirca for the treatment of pulmonary arterial hypertension.
Molecular Spectra
No Data Available
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References
No Data Available
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