Drug General Information
Drug ID
D0U8CB
Former ID
DNC012382
Drug Name
SPANTIDE
Indication Discovery agent Investigative [526793]
Structure
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2D MOL

3D MOL

Formula
C75H108N20O13
Canonical SMILES
CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C2<br />1)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O<br />)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6C(=O)C(CCCCN)<br />NC(=O)C7CCCN7C(=O)C(CCCN=C(N)N)N
InChI
1S/C75H108N20O13/c1-42(2)35-55(64(80)98)89-67(101)56(36-43(3)4)90-69(103)59(39-46-41-85-51-23-11-9-20-48(46)51)93-68(102)57(37-44-17-6-5-7-18-44)91-70(104)58(38-45-40-84-50-22-10-8-19-47(45)50)92-66(100)52(27-29-62(78)96)86-65(99)53(28-30-63(79)97)87-71(105)61-26-16-34-95(61)74(108)54(24-12-13-31-76)88-72(106)60-25-15-33-94(60)73(107)49(77)21-14-32-83-75(81)82/h5-11,17-20,22-23,40-43,49,52-61,84-85H,12-16,21,24-39,76-77H2,1-4H3,(H2,78,96)(H2,79,97)(H2,80,98)(H,86,99)(H,87,105)(H,88,106)(H,89,101)(H,90,103)(H,91,104)(H,92,100)(H,93,102)(H4,81,82,83)
InChIKey
SAPCBHPQLCZCDV-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [526793]
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 526793J Med Chem. 1992 Apr 3;35(7):1273-9.Synthesis and substance P antagonist activity of naphthimidazolium derivatives.
Ref 526793J Med Chem. 1992 Apr 3;35(7):1273-9.Synthesis and substance P antagonist activity of naphthimidazolium derivatives.

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