Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00440
|
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| Drug Name |
Sertraline
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| Synonyms |
(+)-Sertraline; (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine; (1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine; (1S-cis)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine; Apo-Sertraline; CP 51974; Lustral; Lustral (TN); SRE; Sertralina; Sertralina [Spanish]; Sertraline (INN); Sertraline (Zoloft); Sertraline [INN:BAN]; Sertraline [Zoloft]; Sertralinum; Sertralinum [Latin]; Zoloft (TN)
|
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| Drug Type |
Small molecular drug
|
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| Indication | Depression [ICD11:6A8Z] | Approved | [1] | |||
| Therapeutic Class |
Antidepressants
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C17H17Cl2N
|
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| Canonical SMILES |
CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
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| InChI |
InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
|
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| InChIKey |
VGKDLMBJGBXTGI-SJCJKPOMSA-N
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| CAS Number |
CAS 79617-96-2
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| Pharmaceutical Properties | Molecular Weight | 306.2 | Topological Polar Surface Area | 12 | ||
| Heavy Atom Count | 20 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 1 | |||
| XLogP |
4.8
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| PubChem CID | ||||||
| PubChem SID |
103213015
,103937473
,104342622
,11372017
,11374862
,11484121
,11488309
,11490894
,11493046
,117463757
,117475932
,118047120
,121264488
,121363704
,14776364
,14923174
,17425146
,24723455
,26753299
,29215139
,43125164
,46505341
,47870036
,48019284
,48243732
,48394276
,48416536
,49665783
,49699249
,49995188
,50105682
,50105683
,50105684
,50105685
,50723729
,53788480
,57288837
,57316967
,57654971
,7849419
,7980593
,8192230
,85148370
,85789675
,90341218
,92714411
,93166926
,93167211
,9455
,99445038
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| ChEBI ID |
ChEBI:9123
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Sertraline was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Improving the prediction of the brain disposition for orally administered drugs using BDDCS. Adv Drug Deliv Rev. 2012 Jan;64(1):95-109. | |||||
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