Drug Information

Drug General Information
Drug ID
D00DKK
Former ID
DAP000009
Drug Name
Isotretinoin
Synonyms
Accutane; Amnesteem; Claravis; Isotane; Isotretinoine; Isotretinoino; Isotretinoinum; Isotrex; Roaccutan; Roaccutane; Roacutan; Sotret; Teriosal; Isotretinoin Retinoic acid; 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; (13cis)-retinoic acid; (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 Cis-Retinoic Acid; 13 cis retinoic acid; 13-RA; 13-cis RA; 13-cis retinoic acid; 13-cis-Retinoic acid; 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
Drug Type
Small molecular drug
Indication Acne vulgaris [ICD9: 706.1; ICD10:L70.0] Approved [536361], [542589]
Therapeutic Class
Antiacne Agents
Company
Roche Pharmaceuticals
Structure
Download
2D MOL

3D MOL
Formula
C20H28O2
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-
InChIKey
SHGAZHPCJJPHSC-XFYACQKRSA-N
CAS Number
CAS 4759-48-2
PubChem Compound ID
5282379
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
ChEBI ID
ChEBI:6067
SuperDrug ATC ID
D10AD04; D10BA01
SuperDrug CAS ID
cas=004759482
Target and Pathway
Target(s) Retinoic acid receptor Target Info Agonist [535834]
References
Ref 536361Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.
Ref 542589(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 535834Retinoid agonist isotretinoin ameliorates obstructive renal injury. J Urol. 2003 Oct;170(4 Pt 1):1398-402.

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