Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00154
|
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| Drug Name |
Tretinoin
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| Synonyms |
302-79-4; ATRA; Aberel; Airol; Aknefug; Aknoten; All-trans Retinoic Acid; Alltrans-retinoic acid; Atralin; Avitoin; Cordes vas; Dermairol; Effederm; Epi-aberel; Eudyna; Renova; Retin-A; Retin-A Micro; Retinoic acid; Retinoic acid, all-trans-; Retionic acid; TRETINON; Tretin M; Tretinoin; Vesanoid; Vitamin A acid; Vitamin A acid, all-trans-; Vitamin A1 acid, all-trans-; all-(E)-Retinoic acid; all-trans-Retinoic acid; all-trans-Tretinoin; all-trans-Vitamin A acid; all-trans-Vitamin A1 acid; beta-Ra; beta-Retinoic acid; trans-Retinoic acid; tretinoin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Acne vulgaris [ICD11:ED80] | Approved | [1] | |||
| Therapeutic Class |
Keratolytic Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C20H28O2
|
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| Canonical SMILES |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
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| InChI |
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
|
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| InChIKey |
SHGAZHPCJJPHSC-YCNIQYBTSA-N
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| CAS Number |
CAS 302-79-4
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| Pharmaceutical Properties | Molecular Weight | 300.4 | Topological Polar Surface Area | 37.3 | ||
| Heavy Atom Count | 22 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
6.3
|
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| PubChem CID | ||||||
| PubChem SID |
10299585
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,11528311
,12014646
,14825303
,14849563
,17405617
,24278674
,24702082
,26612256
,26680099
,26703748
,26716947
,26746936
,26746937
,26759442
,29214999
,31294611
,3138737
,36887697
,4038
,416403
,46392576
,46487923
,47216527
,47959456
,47959457
,48110185
,48110186
,48184725
,48184726
,48184727
,48184728
,48258941
,48414424
,48483920
,49698408
,50103969
,50103970
,50126361
,596063
,7847162
,7890244
,7980826
,8143163
,8149916
,830710
,838467
,841067
,855632
|
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| ChEBI ID |
ChEBI:15367
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Tretinoin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Carotenoids reverse multidrug resistance in cancer cells by interfering with ABC-transporters. Phytomedicine. 2012 Aug 15;19(11):977-87. | |||||
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