Drug Information

Drug General Information
Drug ID
D07RRN
Former ID
DNC006106
Drug Name
C[Thr-Tyr-Thr-His-DNaf-Arg-Trp-Thr-Ile-Pro]
Indication Discovery agent Investigative [527997]
Structure
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2D MOL

3D MOL
Formula
C68H88N16O14
Canonical SMILES
CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=<br />O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC3=CNC4=CC=<br />CC=C43)CCCN=C(N)N)CC5=CC=CC6=CC=CC=C65)CC7=CN=CN7)C(C)O<br />)CC8=CC=C(C=C8)O)C(C)O
InChI
1S/C68H88N16O14/c1-6-35(2)54-67(98)84-27-13-21-53(84)63(94)83-56(37(4)86)65(96)78-49(28-39-22-24-44(88)25-23-39)61(92)81-55(36(3)85)64(95)79-52(31-43-33-71-34-74-43)60(91)77-50(29-41-16-11-15-40-14-7-8-17-45(40)41)59(90)75-48(20-12-26-72-68(69)70)58(89)76-51(62(93)82-57(38(5)87)66(97)80-54)30-42-32-73-47-19-10-9-18-46(42)47/h7-11,14-19,22-25,32-38,48-57,73,85-88H,6,12-13,20-21,26-31H2,1-5H3,(H,71,74)(H,75,90)(H,76,89)(H,77,91)(H,78,96)(H,79,95)(H,80,97)(H,81,92)(H,82,93)(H,83,94)(H4,69,70,72)/t35-,36-,37-,38-,48+,49+,50-,51-,52+,53-,54-,55+,56+,57-/m1/s1
InChIKey
JUOTYAXVJMXIJJ-RTWQMTKCSA-N
PubChem Compound ID
44406884
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [527997]
KEGG Pathway Neuroactive ligand-receptor interaction
Pathway Interaction Database Syndecan-3-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (s) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527997J Med Chem. 2006 Feb 9;49(3):911-22.Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.
Ref 527997J Med Chem. 2006 Feb 9;49(3):911-22.Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.

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