Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00152
|
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| Drug Name |
Oleic acid
|
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| Synonyms |
(Z)-Octadec-9-enoic acid; 9-Octadecenoic acid (Z)-; Century cd fatty acid; Cis-9-Octadecenoic acid; Elaidoic acid; Emersol 205; Emersol 210; Emersol 211; Emersol 213; Emersol 233LL; Emersol 6321; Extraolein 90; Glycon RO; Glycon wo; Groco 2; Groco 4; Groco 5l; Groco 6; Industrene 105; Industrene 205; Industrene 206; L'Acide oleique; Metaupon; Oelsauere; Oleine 7503; Oleinic acid; Pamolyn; Pamolyn 100; Tego-oleic 130; Vopcolene 27; Wecoline OO; Z-9-Octadecenoic acid; cis-Octadec-9-enoic acid; cis-Oleic acid; oleate
|
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| Drug Type |
Small molecular drug
|
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| Indication | Colorectal Adenomatous Polyps [ICD11:DB35] | Phase 2 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C18H34O2
|
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| Canonical SMILES |
CCCCCCCCC=CCCCCCCCC(=O)O
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| InChI |
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
|
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| InChIKey |
ZQPPMHVWECSIRJ-KTKRTIGZSA-N
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| CAS Number |
CAS 112-80-1
|
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| Pharmaceutical Properties | Molecular Weight | 282.5 | Topological Polar Surface Area | 37.3 | ||
| Heavy Atom Count | 20 | Rotatable Bond Count | 15 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
6.5
|
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| PubChem CID | ||||||
| PubChem SID |
10299740
,10504339
,11528277
,11532519
,14750979
,17388831
,24278605
,24856748
,24862437
,24886786
,24897936
,24897941
,24897944
,24897946
,24901337
,24901338
,26708080
,26732603
,26752911
,26759285
,29204451
,3140740
,36888286
,3978
,4265936
,46391972
,46392022
,46392136
,46393429
,48185141
,48417325
,48423867
,48425443
,49854224
,53789356
,56311729
,56314553
,56365484
,584561
,607054
,75221
,7849374
,7889573
,7889575
,8136926
,8144974
,819801
,820852
,823248
,841649
|
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| ChEBI ID |
CHEBI:16196
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | FATP1 | Transporter Info | Fatty acid transport protein 1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01661764) Fish Oil Supplementation, Nutrigenomics and Colorectal Cancer Prevention | |||||
| 2 | The blood-brain barrier fatty acid transport protein 1 (FATP1/SLC27A1) supplies docosahexaenoic acid to the brain, and insulin facilitates transport. J Neurochem. 2017 May;141(3):400-412. | |||||
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