Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00080
|
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| Drug Name |
Riociguat
|
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| Synonyms |
625115-55-1; Adempas; BAY 63-2521; CHEBI:76018; Methyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(methyl)carbamate; Methyl N-(4,6-diamino-2-{1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate; N-[4,6-Diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-methylcarbamic acid methyl ester; RU3FE2Y4XI; Riociguat; Riociguat (BAY 63-2521); UNII-RU3FE2Y4XI; riociguatum
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| Drug Type |
Small molecular drug
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| Indication | Pulmonary arterial hypertension [ICD11:BB01.0] | Approved | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C20H19FN8O2
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| Canonical SMILES |
CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC
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| InChI |
InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
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| InChIKey |
WXXSNCNJFUAIDG-UHFFFAOYSA-N
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| CAS Number |
CAS 625115-55-1
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| Pharmaceutical Properties | Molecular Weight | 422.4 | Topological Polar Surface Area | 138 | ||
| Heavy Atom Count | 31 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 9 | |||
| XLogP |
1.6
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| PubChem CID | ||||||
| PubChem SID |
124490312
,124759703
,126644888
,126680174
,135263495
,136946407
,137126926
,139526076
,144115685
,152040137
,152255058
,152258603
,160647437
,160682218
,16393220
,164042214
,164347391
,170501515
,172919534
,178101941
,185997052
,198980755
,198993771
,211536089
,223399697
,223676750
,224002579
,226595445
,23472114
,242826663
,249737057
,249821754
,251971381
,252155071
,252211224
,252216203
,252316121
,252438349
,252553251
,42384129
,80225677
,87550988
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| ChEBI ID |
CHEBI:76018
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Riociguat was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | KEGG: new perspectives on genomes, pathways, diseases and drugs. Nucleic Acids Res. 2017 Jan 4;45(D1):D353-D361. (dg:DG01913) | |||||
| 3 | Pharmacokinetic interaction profile of riociguat, a new soluble guanylate cyclase stimulator, initro. Pulm Pharmacol Ther. 2014 Aug;28(2):130-7. | |||||
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