Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J8SU
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| Former ID |
DNC004269
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| Drug Name |
Substance P
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| Synonyms |
Substance P; 33507-63-0; Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2; CCRIS 7229; UNII-675VGV5J1D; EINECS 251-545-8; CHEMBL235363; 675VGV5J1D; 12769-48-1; P substance; Neurokinin P; Substanz-P; C63H98N18O13S; Substance P analogue; AC1Q5IQE; AC1L1VX3; tachykinin substance P (SP); SCHEMBL1116347; GTPL2098; ArgProLysProGlnGlnPhePheGlyLeuMet; MolPort-023-276-010; ADNPLDHMAVUMIW-CUZNLEPHSA-N; 2053AH; BDBM50001450; AKOS024456424; NCGC00167123-01; 11035-08-8; LS-147256; Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine
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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 |
C63H98N18O13S
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
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| InChI |
1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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| InChIKey |
ADNPLDHMAVUMIW-CUZNLEPHSA-N
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| CAS Number |
CAS 33507-63-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-P receptor (TACR1) | Target Info | Inhibitor | [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: 2098). | |||
| REF 2 | Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist. Bioorg Med Chem Lett. 1998 Feb 3;8(3):281-4. | |||
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