Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00DKK
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| Former ID |
DAP000009
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| Drug Name |
Isotretinoin
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| Synonyms |
Accutane; Amnesteem; Claravis; Isotane; Isotretinoine; Isotretinoino; Isotretinoinum; Isotrex; Roaccutan; Roaccutane; Roacutan; Sotret; Teriosal; Neovitamin A acid; R 3255; Ro 4 3780; Ro 43780; Accutane (TN); Amnesteem (TN); BML2-E07; CIP-Isotretinoin; Claravi (TN); Clarus (TN); Decutan (TN); Isotane (TN); Isotretinoin (USP); Isotretinoin Zinc Salt, 13 cis Isomer; Isotretinoine [INN-French]; Isotretinoino [INN-Spanish]; Isotretinoinum [INN-Latin]; Izotek (TN); Oratane (TN); Ro 4-3780; Ro-43780; Roaccutane (TN); Sotret (TN); Isotretinoin [USAN:INN:BAN]; Ro-4-3780; Isotretinoin Zinc Salt, 13-cis-Isomer; (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid; (2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid; (7E,9E,11E,13Z)-retinoic acid; 13-RA; 13-cis RA; 13-cis-Vitamin A acid; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)2-cis-4-trans-6-trans-8-trans-nonatetraenoic acid
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| Drug Type |
Small molecular drug
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| Indication | Acne vulgaris [ICD-11: ED80; ICD-10: L70.0; ICD-9: 706.1] | Approved | [1], [2] | |
| Therapeutic Class |
Antiacne Agents
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| Company |
Roche Pharmaceuticals
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| Structure |
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Download2D MOL |
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| 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 |
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-XFYACQKRSA-N
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| CAS Number |
CAS 4759-48-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
9270, 821174, 3719647, 7847414, 7979663, 8617030, 10321605, 12013352, 14751738, 17405637, 24278676, 24702084, 26612253, 26747659, 26747660, 26747661, 26753641, 26753642, 26753643, 26753644, 39315833, 46508729, 47193696, 47217015, 47217016, 47440502, 47515558, 47515559, 47515560, 47589204, 47736730, 47885626, 48035372, 48416136, 49698407, 50044403, 50106981, 50106982, 53778187, 53788737, 56312436, 56312437, 56312464, 56313471, 56313644, 56352887, 57288466, 57288699, 57358641, 75174296
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| ChEBI ID |
CHEBI:6067
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| ADReCS Drug ID | BADD_D01213 | |||
| SuperDrug ATC ID |
D10AD04; D10BA01
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| SuperDrug CAS ID |
cas=004759482
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Retinoic acid receptor (RAR) | Target Info | Agonist | [3] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7600). | |||
| REF 2 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 3 | Retinoid agonist isotretinoin ameliorates obstructive renal injury. J Urol. 2003 Oct;170(4 Pt 1):1398-402. | |||
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