Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01369
|
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| Drug Name |
Prostaglandin A2
|
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| Synonyms |
medullin; PGA2
|
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| Drug Type |
Small molecular drug
|
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| Indication | Human immunodeficiency virus infection [ICD11:1C62.Z] | Phase 1 | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C20H30O4
|
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| Canonical SMILES |
CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
|
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| InChI |
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
|
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| InChIKey |
MYHXHCUNDDAEOZ-FOSBLDSVSA-N
|
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| CAS Number |
CAS 13345-50-1
|
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| Pharmaceutical Properties | Molecular Weight | 334.4 | Topological Polar Surface Area | 74.6 | ||
| Heavy Atom Count | 24 | Rotatable Bond Count | 12 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
3.6
|
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| PubChem CID | ||||||
| PubChem SID |
8237
,599108
,855670
,4265975
,8616420
,14717647
,14924515
,24898548
,26522686
,26751479
,26751480
,39289869
,47216545
,47216546
,50026811
,50103989
,53788336
,57357905
,79622497
,85787701
,92298423
,92309876
,99300790
,99302308
,103756910
,104046431
,113854152
,135056758
,137007967
,139340658
,162225876
,164814196
,178102899
,179205555
,198943825
,228253856
,250136889
,252356257
,252455600
,252457317
,252469022
|
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| ChEBI ID |
CHEBI:27820
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00301184) Safety of and Immune Response to a DNA HIV Vaccine (pGA2/JS7) Boosted With a Modified Vaccinia HIV Vaccine (MVA/HIV62) in Healthy Adults | |||||
| 2 | Unveiling the role of multidrug resistance proteins in hypertension. Hypertension. 2009 Aug;54(2):210-6. | |||||
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