Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00383
|
|||||
| Drug Name |
Dolutegravir
|
|||||
| Synonyms |
DTG; S/GSK1349572
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Human immunodeficiency virus infection [ICD11:1C62.Z] | Approved | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C20H19F2N3O5
|
|||||
| Canonical SMILES |
CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O
|
|||||
| InChI |
InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
|
|||||
| InChIKey |
RHWKPHLQXYSBKR-BMIGLBTASA-N
|
|||||
| CAS Number |
CAS 1051375-16-6
|
|||||
| Pharmaceutical Properties | Molecular Weight | 419.4 | Topological Polar Surface Area | 99.2 | ||
| Heavy Atom Count | 30 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
2.4
|
|||||
| PubChem CID | ||||||
| PubChem SID |
123055423
,124361075
,124361082
,124361088
,135268073
,135273443
,135626786
,136340316
,136349541
,136367672
,136920429
,144115916
,152258477
,160647312
,160693271
,162011364
,162038052
,162202774
,163677014
,164043525
,164193963
,164347381
,170484068
,170484069
,170484070
,170503405
,174007466
,174525979
,175427161
,178103937
,184812380
,189622844
,198935766
,198993556
,223382143
,223705174
,226460906
,242590891
,248390482
,250184664
,252110159
,252224388
,252451605
,96100998
|
|||||
| ChEBI ID |
ChEBI:76010
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Dolutegravir was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Tarascon Pocket Pharmacopoeia 2018 Classic Shirt-Pocket Edition. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.