Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05XTQ
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| Former ID |
DIB005233
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| Drug Name |
DELTIBANT
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| Synonyms |
CP-0127; Deltibant < Prop INN; SB-238592; Bradycor (Cortech, US); S,S'-(Hexane-1,6-diyl)bis(succinimide-1,3-diyl)bis[D-arginyl-L-arginyl-L-prolyl-(4-hydroxy)-L-prolyl-glycyl-L-phenylalanyl-L-cysteinyl-D-phenylalanyl-L-leucyl-L-arginine]
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| Indication | Septic shock [ICD9: 785.52; ICD10:A41.9] | Phase 2 | [526887] | ||
| Structure |
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Download2D MOL |
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| Formula |
C128H194N40O28S2
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CS[C@H]2<br />CC(=O)N(CCCCCCN3C(=O)C[C@@H](SC[C@H](NC(=O)[C@H](Cc4ccc<br />cc4)NC(=O)CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H]6CCCN6C<br />(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@<br />H](Cc7ccccc7)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)<br />N)C(=O)O)C3=O)C2=O)NC(=O)[C@H](Cc8ccccc8)NC(=O)CNC(=O)[<br />C@@H]9C[C@@H](O)CN9C(=O)[C@@H]%10CCCN%10C(=O)[C@H](CCCN<br />C(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N<br />)C(=O)O
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| InChI |
1S/C128H194N40O28S2/c1-71(2)55-85(105(177)155-83(121(193)194)41-25-49-147-127(139)140)157-109(181)89(59-75-33-15-9-16-34-75)159-111(183)91(161-107(179)87(57-73-29-11-7-12-30-73)151-99(171)65-149-113(185)95-61-77(169)67-167(95)117(189)93-43-27-53-163(93)115(187)81(39-23-47-145-125(135)136)153-103(175)79(129)37-21-45-143-123(131)132)69-197-97-63-101(173)165(119(97)191)51-19-5-6-20-52-166-102(174)64-98(120(166)192)198-70-92(112(184)160-90(60-76-35-17-10-18-36-76)110(182)158-86(56-72(3)4)106(178)156-84(122(195)196)42-26-50-148-128(141)142)162-108(180)88(58-74-31-13-8-14-32-74)152-100(172)66-150-114(186)96-62-78(170)68-168(96)118(190)94-44-28-54-164(94)116(188)82(40-24-48-146-126(137)138)154-104(176)80(130)38-22-46-144-124(133)134/h7-18,29-36,71-72,77-98,169-170H,5-6,19-28,37-70,129-130H2,1-4H3,(H,149,185)(H,150,186)(H,151,171)(H,152,172)(H,153,175)(H,154,176)(H,155,177)(H,156,178)(H,157,181)(H,158,182)(H,159,183)(H,160,184)(H,161,179)(H,162,180)(H,193,194)(H,195,196)(H4,131,132,143)(H4,133,134,144)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)/t77-,78-,79-,80-,81+,82+,83+,84+,85+,86+,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97-,98+/m1/s1
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| InChIKey |
JKUYFMHGTOPVMR-WQVVEKGHSA-N
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| CAS Number |
CAS 140661-97-8
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | B2 bradykinin receptor | Target Info | Modulator | [526887] | |
| 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 | ||||
| Pathway Interaction Database | Direct p53 effectors | ||||
| Validated transcriptional targets of deltaNp63 isoforms | |||||
| References | |||||
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