Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07FUN
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| Former ID |
DIB020970
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| Drug Name |
spantide II
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| Synonyms |
Spantide II; Npcatn-SP; 1-Niclys-3-(3-pal)-5-Cl2Phe-6-asn-7,9-trp-11-nle-substance P; Substance P, nic-lys(1)-3-pal(3)-Cl2-phe(5)-asn(6)-trp(7,9)-nle(11)-; 1-Nicotinyl-lysyl-3-pyridyl-alanyl-5-dichloro-phenylalanyl-6-asparaginyl-7,9-tryptophyl-11-norleucine-substance P; Substance P, nicotinyllysyl(1)-3-pyridylalanyl(3)-dichlorophenyl(5)-asparaginyl(6)-tryptophyl(7,9)-norleucine-; L-Norleucinamide, N6-(3-pyridinylcarbonyl)-D-lysyl-L-prolyl-3-(3-pyridinyl)-L-alanyl-L-prolyl-3,4-dichloro-D-phenylalanyl-L-asparaginyl
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C86H104Cl2N18O13
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| Canonical SMILES |
CCCCC(C(=O)N(C(=O)C1CCCN1C(=O)C(CCCCNC(=O)C2=CN=CC=C2)N)C(=O)C3CCCN3C(=O)C(CC4=CN=CC=C4)N)NC(=O)C(CC(C)C)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)N
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| InChI |
1S/C86H104Cl2N18O13/c1-4-5-26-66(84(117)106(86(119)73-30-18-37-105(73)83(116)63(91)41-53-21-15-33-93-46-53)85(118)72-29-17-36-104(72)82(115)61(89)25-13-14-35-95-75(108)54-22-16-34-94-47-54)98-77(110)67(38-50(2)3)100-79(112)69(43-55-48-96-64-27-11-9-23-57(55)64)102-78(111)68(42-51-19-7-6-8-20-51)101-80(113)70(44-56-49-97-65-28-12-10-24-58(56)65)103-81(114)71(45-74(92)107)99-76(109)62(90)40-52-31-32-59(87)60(88)39-52/h6-12,15-16,19-24,27-28,31-34,39,46-50,61-63,66-73,96-97H,4-5,13-14,17-18,25-26,29-30,35-38,40-45,89-91H2,1-3H3,(H2,92,107)(H,95,108)(H,98,110)(H,99,109)(H,100,112)(H,101,113)(H,102,111)(H,103,114)/t61-,62-,63+,66+,67+,68+,69-,70-,71+,72+,73+/m1/s1
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| InChIKey |
AZZJAARMZMEIHY-BBKUSFMUSA-N
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| CAS Number |
CAS 129176-97-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-P receptor (TACR1) | Target Info | Antagonist | [2] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2097). | |||
| REF 2 | Spantide II, an effective tachykinin antagonist having high potency and negligible neurotoxicity. Proc Natl Acad Sci U S A. 1990 Jun;87(12):4833-5. | |||
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