Drug Information

Drug General Information
Drug ID
D0I8OE
Former ID
DNC001569
Drug Name
PcTx1
Drug Type
Small molecular drug
Indication Pain [ICD9: 338, 356.0, 356.8,780; ICD10:G64, G90.0, R52, G89] Investigative [467631]
Therapeutic Class
Analgesics
Structure
Download
2D MOL

3D MOL
Formula
C60H86O19
Canonical SMILES
CC1CC2C(CC3C(O2)C(C(C4C(O3)C(C(C5(O4)CC(CO5)O)C)C)O)C)O<br />C6CC7C(C(CC8C(O7)CC=CCC9C(O8)C=CC2C(O9)C=CC3C(O2)CC2C(O<br />3)C(C3C(O2)CC=CC(O3)C=CC(CO)O)O)O)(OC6C1)C
InChI
1S/C60H86O19/c1-28-19-42-44(22-48-54(76-42)30(3)52(65)58-55(77-48)29(2)31(4)60(79-58)25-33(63)27-67-60)73-46-24-51-59(5,78-47(46)20-28)50(64)23-45-36(74-51)11-7-6-10-35-37(71-45)15-16-39-38(69-35)17-18-40-43(70-39)21-49-57(75-40)53(66)56-41(72-49)12-8-9-34(68-56)14-13-32(62)26-61/h6-9,13-18,28-58,61-66H,10-12,19-27H2,1-5H3/b7-6-,14-13+/t28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60-/m1/s1
InChIKey
VYVRIXWNTVOIRD-LRHBOZQDSA-N
PubChem Compound ID
5311333
PubChem Substance ID
7980193, 11056444, 14718069, 16703122, 39341022, 49903632, 56311680, 56314555, 57359437, 80417180, 96023286, 134224229, 135152282, 137002782, 140889185, 198949868, 238300759
Target and Pathway
Target(s) Acid-sensing ion channel ASIC1a/ASIC1b Target Info Blocker [536309], [537642]
KEGG Pathway Inflammatory mediator regulation of TRP channels
Reactome Stimuli-sensing channels
WikiPathways Iron uptake and transport
References
Ref 467631(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: 4292).
Ref 536309Peptides inhibitors of acid-sensing ion channels. Toxicon. 2007 Feb;49(2):271-84.
Ref 537642Challenges in Analgesic Drug Development. Clin Pharmacol Ther. 2009 Aug 12.

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