Drug General Information
Drug ID
D0I8HY
Former ID
DNC013418
Drug Name
Arg-Pro-Lys-Pro-Gln-Ser-Phe-Phe-Gly-Leu-Met-NH2
Indication Discovery agent Investigative [529205]
Structure
Download
2D MOL

3D MOL

Formula
C61H95N17O13S
Canonical SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1<br />)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O<br />)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
InChI
1S/C61H95N17O13S/c1-36(2)31-43(54(85)71-40(51(65)82)25-30-92-3)70-50(81)34-69-52(83)44(32-37-15-6-4-7-16-37)74-55(86)45(33-38-17-8-5-9-18-38)75-56(87)46(35-79)76-53(84)41(23-24-49(64)80)72-57(88)48-22-14-29-78(48)60(91)42(20-10-11-26-62)73-58(89)47-21-13-28-77(47)59(90)39(63)19-12-27-68-61(66)67/h4-9,15-18,36,39-48,79H,10-14,19-35,62-63H2,1-3H3,(H2,64,80)(H2,65,82)(H,69,83)(H,70,81)(H,71,85)(H,72,88)(H,73,89)(H,74,86)(H,75,87)(H,76,84)(H4,66,67,68)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChIKey
MXTQBPBXNQHASJ-BHEJXMHWSA-N
PubChem Compound ID
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [529205]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measles
PANTHER Pathway CCKR signaling map ST
Reactome G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 529205J Med Chem. 2007 Dec 27;50(26):6501-6. Epub 2007 Dec 8.Conformational comparisons of a series of tachykinin peptide analogs.
Ref 529205J Med Chem. 2007 Dec 27;50(26):6501-6. Epub 2007 Dec 8.Conformational comparisons of a series of tachykinin peptide analogs.

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