loading...| Preferred Name |
aliskiren |
|
| Synonyms |
(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide aliskiren SPP 100 C30H53N3O6 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_601027 |
|
| altId |
CHEBI:41356 CHEBI:580746 |
|
| ATCCode |
C09XA02 |
|
| binds | ||
| CASRN |
173334-57-1 |
|
| DBBrand |
rasilez tekturna |
|
| DBname |
aliskiren |
|
| DBSynonym |
rasilez spp 100 |
|
| Definition |
A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000827 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000412 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0001378 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0001235 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000613 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000344 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000022 http://purl.obolibrary.org/obo/OAE_0001205 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000336 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000358 |
|
| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 |
|
| InChIKey |
InChIKey=UXOWGYHJODZGMF-QORCZRPOSA-N |
|
| inhibits | ||
| is metabolised by | ||
| is substrate of | ||
| label |
aliskiren |
|
| may interact with | ||
| prefixIRI |
obo2:CHEBI_601027 |
|
| prefLabel |
aliskiren |
|
| SMILES |
COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |
|
| Synonym |
(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide aliskiren SPP 100 C30H53N3O6 |
|
| xref |
ChemSpider:4591452 PharmGKB:PA143487910 DrugBank:DB01258 ChEMBL:19358611 DrugBank:173334-57-1 PDBeChem:C41 CASRN:173334-57-1 BindingDB:17950 KEGG DRUG:D03208 National Drug Code Directory:0078-0486-15 Wikipedia:Aliskiren Wikipedia:http://en.wikipedia.org/wiki/Aliskiren Beilstein:8740878 Drugs.com:http://www.drugs.com/cdi/aliskiren.html ChEMBL:19457666 PubChem Compound:5493444 ChEBI:601027 PubChem Substance:46507474 |
|
| subClassOf |