Therapeutic Targets Database
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TTD Drug ID: DNC005873

Drug Information
NameMDL-105212
IndicationNot AvailableExperimental    
Structure

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Click to save drug structure in 2D MOL format
InChI1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18
-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38
,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41
)/t33-/m0/s1
InChIKeyWZMVQZJKOVPVGZ-XIFFEERXSA-N
Canonical SMILESCOC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=
CC(=C(C=C5)Cl)Cl    
Isomeric SMILESCOC1=CC(=CC(=C1OC)OC)C(=O)N2CC[C@](C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)
C5=CC(=C(C=C5)Cl)Cl
TargetHistamine H1 receptorInhibitor[1]
Ref 1J Med Chem. 2005 Oct 20;48(21):6523-43.Designed multiple ligands. An emerging drug discovery paradigm. To Reference



 

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