Drug General Information
Drug ID
D0I8HL
Former ID
DNC011545
Drug Name
(D)Arg-Arg-Pro-Hyp-Gly-Thi-Ser-(D)Tic-Aoc-Arg
Indication Discovery agent Investigative [529475]
Structure
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2D MOL

3D MOL

Formula
C58H87N19O13S
Canonical SMILES
C1CC2CC(N(C2C1)C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(<br />CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCN<br />=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)C(=O)NC(CCCN=C(N)N)C(=O)O
InChI
1S/C58H87N19O13S/c59-36(13-4-18-66-56(60)61)47(81)71-37(14-5-19-67-57(62)63)51(85)74-21-7-17-42(74)53(87)76-29-34(79)25-43(76)49(83)69-27-46(80)70-39(26-35-12-8-22-91-35)48(82)73-40(30-78)52(86)75-28-33-10-2-1-9-31(33)23-45(75)54(88)77-41-16-3-11-32(41)24-44(77)50(84)72-38(55(89)90)15-6-20-68-58(64)65/h1-2,8-10,12,22,32,34,36-45,78-79H,3-7,11,13-21,23-30,59H2,(H,69,83)(H,70,80)(H,71,81)(H,72,84)(H,73,82)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t32?,34?,36-,37-,38?,39?,40-,41?,42-,43-,44?,45?/m1/s1
InChIKey
TZXGWOFUQYJXKR-OSXXQWSASA-N
PubChem Compound ID
Target and Pathway
Target(s) B2 bradykinin receptor Target Info Inhibitor [529475]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Complement and coagulation cascades
Inflammatory mediator regulation of TRP channels
Regulation of actin cytoskeleton
Endocrine and other factor-regulated calcium reabsorption
Chagas disease (American trypanosomiasis)
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Pathway Interaction Database Direct p53 effectors
Validated transcriptional targets of deltaNp63 isoforms
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
G alpha (i) signalling events
WikiPathways ACE Inhibitor Pathway
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Nifedipine Activity
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 529475J Med Chem. 1991 Mar;34(3):1230-3.Design and conformational analysis of several highly potent bradykinin receptor antagonists.
Ref 529475J Med Chem. 1991 Mar;34(3):1230-3.Design and conformational analysis of several highly potent bradykinin receptor antagonists.

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