Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNCL001599

Drug Information
NameNabiximols
CompanyOtsuka America Pharmaceutical Rockville, MD
IndicationCancer pain (adjunctive treatment)
[ICD9: 140-229, 338,780   ICD10: C00-C96, R52, G89]
Phase III    
Muscle spasticity
[ICD9: 781.0   ICD10: R25.2]
Phase II    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3
,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4
)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-2
3H,2,5-10H2,1,3-4H3/t16-,17-;17-,18?/m10/s1
InChIKeySSNHGLKFJISNTR-FWUPRJFYSA-N
Canonical SMILESCCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O.CCCCCC1=CC2=C(C3C=C(CCC3C(O2)
(C)C)C)C(=C1)O    
Isomeric SMILESCCCCCC1=CC(=C(C(=C1)O)C2C=C(CC[C@H]2C(=C)C)C)O.CCCCCC1=CC2=C([C@@H]3C=C
(CC[C@H]3C(O2)(C)C)C)C(=C1)O
FormulaC42H60O4
PubChem Compound IDCID 44148067.
SuperDrug ATC IDN02BG10



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543