Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05BOV
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| Former ID |
DNC004610
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| Drug Name |
H-DArg-Arg-Pro-Hyp-Gly-Thi-Ser-D-BT-OH(JMV1431)
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| Indication | Discovery agent | Investigative | [525817] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C45H65N15O12S2
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| Canonical SMILES |
C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)N<br />2CC(CC2C(=O)NCC(=O)NC(CC3=CC=CS3)C(=O)NC(CO)C(=O)NC4CSC<br />5=CC=CC=C5N(C4=O)CC(=O)O)O
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| InChI |
1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1
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| InChIKey |
YMROZBYZFLPAPA-RONNJKQASA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | B1 bradykinin receptor | Target Info | Inhibitor | [525817] | |
| B2 bradykinin receptor | Target Info | Inhibitor | [525817] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Complement and coagulation cascades | |||||
| Inflammatory mediator regulation of TRP channels | |||||
| Regulation of actin cytoskeleton | |||||
| Pathways in cancerhsa04020:Calcium signaling pathway | |||||
| cGMP-PKG signaling pathway | |||||
| Sphingolipid signaling pathway | |||||
| Endocrine and other factor-regulated calcium reabsorption | |||||
| Chagas disease (American trypanosomiasis) | |||||
| Pathways in cancer | |||||
| Pathway Interaction Database | Direct p53 effectors | ||||
| Validated transcriptional targets of deltaNp63 isoforms | |||||
| WikiPathways | Complement and Coagulation Cascades | ||||
| ACE Inhibitor Pathway | |||||
| Regulation of Actin Cytoskeleton | |||||
| GPCRs, Class A Rhodopsin-like | |||||
| Vitamin D Receptor Pathway | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP554:ACE Inhibitor Pathway | |||||
| Nifedipine Activity | |||||
| GPCR downstream signaling | |||||
| References | |||||
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