Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00412
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| Drug Name |
Efavirenz
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| Synonyms |
(-)-Efavirenz; (4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (4S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-ben; (S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; (S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one; 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-(9; 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one; DMP 266; DMP-266; EFV; EFZ; Efavirenz (JAN/INN); Efavirenz, (S)-isomer; Eravirenz; L 743726; L-741211; L-743,726; L-743725; L-743726; Met-SDF-1.beta. & Efavirenz; Met-Stromal Cell-derived Factor-1.beta. (Human) & Efavirenz; Stocrin; Stocrin (TN); Strocin (TM); Sustiva; Sustiva (TM); Sustiva (TN); Zoxazin-2-one
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus infection [ICD11:1C62.Z] | Approved | [1] | |||
| Therapeutic Class |
Anti-HIV Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C14H9ClF3NO2
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| Canonical SMILES |
C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
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| InChI |
InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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| InChIKey |
XPOQHMRABVBWPR-ZDUSSCGKSA-N
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| CAS Number |
CAS 154598-52-4
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| Pharmaceutical Properties | Molecular Weight | 315.67 | Topological Polar Surface Area | 38.3 | ||
| Heavy Atom Count | 21 | Rotatable Bond Count | 1 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
4
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| PubChem CID | ||||||
| PubChem SID |
10288
,104234240
,104330198
,118313744
,12014858
,124658998
,126592964
,126608811
,126622440
,126654055
,129722732
,131300250
,134337998
,135022248
,136367956
,136903808
,137005170
,137229934
,14850291
,2102933
,26719858
,43121048
,46386724
,46392227
,46392228
,46506827
,49681705
,50064506
,53788925
,57315036
,615076
,644086
,78192089
,7847960
,7887287
,7979148
,8032270
,8189153
,819805
,819816
,822777
,822778
,823557
,87350529
,91146581
,92308418
,92309272
,92717165
,93166541
,99444180
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| ChEBI ID |
ChEBI:119486
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | MRP3 | Transporter Info | Multidrug resistance-associated protein 3 | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Efavirenz was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Induction of multiple drug transporters by efavirenz. J Pharmacol Sci. 2009 Feb;109(2):242-50. | |||||
| 3 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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