Drug Information

Drug General Information
Drug ID
D0A8ND
Former ID
DNC000117
Drug Name
9-trans-retinoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [536030]
Structure
Download
2D MOL

3D MOL
Formula
C20H28O2
Canonical SMILES
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
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-YCNIQYBTSA-N
CAS Number
CAS 302-79-4
PubChem Compound ID
444795
PubChem Substance ID
4038, 416403, 596063, 830710, 838467, 841067, 855632, 3138737, 7847162, 7890244, 7980826, 8143163, 8149916, 10299585, 10321438, 11528311, 12014646, 14825303, 14849563, 17405617, 24278674, 24702082, 26612256, 26680099, 26703748, 26716947, 26746936, 26746937, 26759442, 29214999, 31294611, 36887697, 46392576, 46487923, 47216527, 47959456, 47959457, 48110185, 48110186, 48184725, 48184726, 48184727, 48184728, 48258941, 48414424, 48483920, 49698408, 50103969, 50103970, 50126361
ChEBI ID
ChEBI:15367
Target and Pathway
Target(s) Retinoic acid receptor gamma Target Info Agonist [536030]
Reactome Nuclear Receptor transcription pathway
WikiPathways Vitamin A and Carotenoid Metabolism
Nuclear Receptors in Lipid Metabolism and Toxicity
Mesodermal Commitment Pathway
Endoderm Differentiation
Nuclear Receptors
References
Ref 536030Targacept active conformation search: a new method for predicting the conformation of a ligand bound to its protein target. J Med Chem. 2004 Dec 30;47(27):6831-9.
Ref 536030Targacept active conformation search: a new method for predicting the conformation of a ligand bound to its protein target. J Med Chem. 2004 Dec 30;47(27):6831-9.

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