Therapeutic Targets Database
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TTD Drug ID: DNC001324

Drug Information
NameSHU9119
IndicationNot AvailableExperimental    
Structure

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InChI1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)68-45-27-46(71)59-21
-10-9-17-41(50(75)69-53(78)44(67-52(45)77)26-36-29-58-30-62-36)65
-51(76)43(25-35-28-61-39-16-8-7-14-37(35)39)66-49(74)42(18-11-22-
60-54(56)57)64-47(72)38(55)24-32-19-20-33-12-5-6-13-34(33)23-32/h
5-8,12-14,16-17,19-20,23,29-30,35-36,38,40,42-45,61H,3-4,9-11,15,
18,21-22,24-28,55H2,1-2H3,(H,59,71)(H,63,70)(H,64,72)(H,65,76)(H,
66,74)(H,67,77)(H,68,73)(H4,56,57,60)(H,69,75,78)/b41-17+/t35?,36
?,38-,40+,42+,43+,44+,45+/m1/s1
InChIKeyORTUTLYEGOSCRP-ATNXLWBUSA-N
Canonical SMILESCCCCC(C(=O)NC1CC(=O)NCCCC=C(C(=O)NC(=O)C(NC1=O)CC2C=NC=N2)NC(=O)C
(CC3CNC4=CC=CC=C34)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)NC
(=O)C    
Isomeric SMILESCCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCC/C=C(\C(=O)NC(=O)[C@@H](NC1=O)CC2C=NC=
N2)/NC(=O)[C@H](CC3CNC4=CC=CC=C34)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]
(CC5=CC6=CC=CC=C6C=C5)N)NC(=O)C
PubChem Compound IDCID 6440621.
PubChem Substance IDSID 734751.
TargetMelanocortin-3 receptorAntagonist[1]
Ref 1Activation of melanocortin type 3 receptor as a molecular mechanism for adrenocorticotropic hormone efficacy in gouty arthritis. Arthritis Rheum. 2002 Oct;46(10):2765-75. To Reference



 

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