Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0C3KW
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| Former ID |
DNC004601
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| Drug Name |
H-Lys-Arg-Pro-Hyp-Gly-Igl-Ser-D-BT-OH(JMV1645)
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| Indication | Discovery agent | Investigative | [525817] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C49H69N13O12S
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| Canonical SMILES |
C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)N2CC(C<br />C2C(=O)NCC(=O)NC(C3CC4=CC=CC=C4C3)C(=O)NC(CO)C(=O)NC5CS<br />C6=CC=CC=C6N(C5=O)CC(=O)O)O
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| InChI |
1S/C49H69N13O12S/c50-16-6-5-11-31(51)42(68)56-32(12-7-17-54-49(52)53)46(72)60-18-8-14-36(60)48(74)61-23-30(64)21-37(61)44(70)55-22-39(65)59-41(29-19-27-9-1-2-10-28(27)20-29)45(71)57-33(25-63)43(69)58-34-26-75-38-15-4-3-13-35(38)62(47(34)73)24-40(66)67/h1-4,9-10,13,15,29-34,36-37,41,63-64H,5-8,11-12,14,16-26,50-51H2,(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,65)(H,66,67)(H4,52,53,54)/t30?,31?,32-,33+,34-,36+,37+,41?/m1/s1
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| InChIKey |
DSKXSKYPLRUWNI-XISDYZNSSA-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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