Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC002334

Drug Information
NameAsperlicin
IndicationGastrointestinal disorders
[ICD9: 530-558   ICD10: K20-K64]
Experimental    
Structure

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InChI1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(
36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-1
9(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)
/t22-,23-,30-,31-/m0/s1
InChIKeyMGMRIOLWEROPJY-FPACPZPDSA-N
Canonical SMILESCC(C)CC1C(=O)N2C(N1)C(C3=CC=CC=C32)(CC4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=
C7C(=O)N4)O    
Isomeric SMILESCC(C)C[C@H]1C(=O)N2[C@H](N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C
(=O)N5C7=CC=CC=C7C(=O)N4)O
PubChem Compound IDCID 3035433.
PubChem Substance IDSID 698790.
TargetCholecystokinin receptorAntagonist[1]
Ref 1Mini Rev Med Chem. 2007 Nov;7(11):1108-19.Privileged structures: a useful concept for the rational design of new lead drug candidates. To Reference



 

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