Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01485
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| Drug Name |
Leukotriene E4
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| Synonyms |
Leukotriene E4; leukotriene E4; Leukotriene E; UNII-8EYT8ATL7G; 75715-89-8; 8EYT8ATL7G; CHEMBL509456; CHEBI:15650; OTZRAYGBFWZKMX-FRFVZSDQSA-N; 5S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid; C23H37NO5S; (5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-6-((2-Amino-2-carboxyethyl)thio)-5-hydroxy-7,9,11,14-eicosatetraenoic acid; (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid; [3H]LTE4; AC1NQXPM; LEUKOTRIEN E4; BSPBio_001370; leukotriene E
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| Drug Type |
Small molecular drug
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| Indication | Asthma [ICD11:CA23] | Preclinical | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C23H37NO5S
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| Canonical SMILES |
CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N
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| InChI |
InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
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| InChIKey |
OTZRAYGBFWZKMX-FRFVZSDQSA-N
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| CAS Number |
CAS 75715-89-8
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| Pharmaceutical Properties | Molecular Weight | 439.6 | Topological Polar Surface Area | 146 | ||
| Heavy Atom Count | 30 | Rotatable Bond Count | 18 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
2.1
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| PubChem CID | ||||||
| PubChem SID |
8236
,4266070
,7979753
,8143276
,8616419
,16344702
,26756770
,39289868
,48409442
,50111414
,57357904
,74701367
,96099805
,103591347
,104138918
,113854149
,127316814
,127316815
,127316816
,127316817
,127316818
,135651514
,137006567
,138355247
,164228112
,164761568
,178102487
,179293257
,198951720
,198991667
,236466655
,250135039
,252455510
,252467954
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| ChEBI ID |
CHEBI:15650
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | MRP1 | Transporter Info | Multidrug resistance-associated protein 1 | Substrate | [2] | |
| OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [3] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01841164) A Mechanistic Study to Evaluate the Efficacy of Montelukast on Airway Function in Asthma | |||||
| 2 | Transport of glutathione, glucuronate, and sulfate conjugates by the MRP gene-encoded conjugate export pump. Cancer Res. 1996 Mar 1;56(5):988-94. | |||||
| 3 | Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81. | |||||
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