Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00118
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| Drug Name |
Sphingosine-1-phosphate
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| Synonyms |
(2S,3R,4E)-2-Amino-4-octadecene-1,3-diol 1-(Dihydroge; (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate; 26993-30-6; 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)-; C18-Sphingosine 1-phosphate; CHEBI:37550; CHEMBL225155; D-erythro-Sphingosine-1-phosphate; D-erythro-sphingosine 1-phosphate; DUYSYHSSBDVJSM-KRWOKUGFSA-N; S1P; Sphing-4-enine 1-phosphate; Sphing-4-enine-1-phosphate; Sphingosine 1-phosphate; Sphingosine 1-phosphic acid; UNII-YVE187NJ1U; YVE187NJ1U; sphingosine-1-phosphate
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| Drug Type |
Small molecular drug
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| Indication | Acne vulgaris [ICD11:ED80] | Phase 1 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C18H38NO5P
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| Canonical SMILES |
CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
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| InChI |
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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| InChIKey |
DUYSYHSSBDVJSM-KRWOKUGFSA-N
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| CAS Number |
CAS 26993-30-6
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| Pharmaceutical Properties | Molecular Weight | 379.5 | Topological Polar Surface Area | 113 | ||
| Heavy Atom Count | 25 | Rotatable Bond Count | 17 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
1.9
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| PubChem CID | ||||||
| PubChem SID |
103513044
,104045126
,104046551
,11039024
,112629138
,113860431
,11538026
,123055038
,135061792
,135651563
,137123351
,141225271
,144107094
,14853517
,14902393
,162223883
,163687305
,164808502
,175443701
,179205494
,226395983
,228659508
,241182370
,241375387
,24893757
,24899853
,250135272
,252467313
,26754964
,26754965
,26759550
,29214822
,3153153
,39316963
,4266347
,47736194
,50069271
,53790239
,56310719
,56314086
,56314115
,57358934
,79196702
,8381
,841938
,85230694
,91616005
,99431555
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| ChEBI ID |
CHEBI:37550
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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] | ||
| SPNS2 | Transporter Info | Protein spinster homolog 2 | Substrate | [4] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01466322) A Study to Assess the Relative Bioavailability of Different Formulations of GSK2018682, a Sphingosine-1-phosphate Receptor Subtype 1 Agonist, in Healthy Volunteers. | |||||
| 2 | Estradiol induces export of sphingosine 1-phosphate from breast cancer cells via ABCC1 and ABCG2. J Biol Chem. 2010 Apr 2;285(14):10477-86. | |||||
| 3 | Lipid dependence of ABC transporter localization and function. Chem Phys Lipids. 2009 Oct;161(2):57-64. | |||||
| 4 | The ABCs of membrane transporters in health and disease (SLC series): Introduction. Molecular Aspects of Medicine, 2013, 34(2-3):95-107. (GeneName=SLC63A2) | |||||
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