Therapeutic Targets Database
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TTD Drug ID: DNC006046

Drug Information
NameMCL-144
IndicationNot AvailableExperimental    
Structure

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InChI1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(3
9)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-
42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-
38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2
/t43-,44-,47+,48+,51+,52+/m0/s1
InChIKeyLWMXWHIOMHIBJP-SPKNWQAQSA-N
Canonical SMILESC1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)OC(=O)CCCCCCCCC(=O)OC5=CC6=C(CC7C8C6
(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1    
Isomeric SMILESC1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)OC(=O)CCCCCCCCC(=O)OC5=
CC6=C(C[C@@H]7[C@H]8[C@@]6(CCCC8)CCN7CC9CCC9)C=C5)CC1CCC1
TargetDelta opioid receptorInhibitor[1]
Kappa opioid receptorInhibitor[1]
Mu opioid receptorInhibitor[1]
Ref 1J Med Chem. 2009 Dec 10;52(23):7389-96.Univalent and bivalent ligands of butorphan: characteristics of the linking chain determine the affinity and potency of such opioid ligands. To Reference



 

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