| Chemical Information | |
| Antiviral agent ID | DrugRepV_4083 | |
| Antiviral agent name | Bradykinin |  |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |  |
| SMILES (canonical) | C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O | |
| SMILES (isomeric) | C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | |
| Molecular Formula | C50H73N15O11 | |
| Molecular Weight (g/mol) | 1060.228 | |
| InChl | InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | |
| Common Name | Bradykinin | |
| Synonyms | Kallidin I | L-Bradykinin | Synthetic bradykinin | (diaminomethylideneamino)pentanoic acid
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| Structural Information | |
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| Clinical Information | |
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Primary Indication (Clinical trial phases) | Investigational
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| Biological Information | |
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Primary Indication (Disease Category) | Non Infectious Disease
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Primary Indication (Disease) | Hypertension and Diabetes Type 3
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Secondary Indication | Nipah virus (NiV) NA NA |   |
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Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
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Secondary Indication (Model system) [cell lines/ animal models] | Vero
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 1000 TCID50
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | Pre infection
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Secondary Indication (Duration of drug delivery) | 1 hour
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Secondary Indication (Drug concentration) | 34.07 μM
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Secondary Indication (Cell based assay) | Immunolabeling assay
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | IC50 [ 50 % ] | |
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Secondary Indication (Cytotoxicity) | 39.1 μM | |
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Reference | Aljofan M, Lo MK, Rota PA, Michalski WP, Mungall BA..Off Label Antiviral Therapeutics for Henipaviruses: New Light Through Old Windows..J Antivir Antiretrovir.2010 Jan 1;2(1):1-10. PubMed PMID: 20668647; PubMed Central PMCID: PMC2910441 PMID:20668647
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Comment | Seven compounds inhibited virus replication in the micromolar range while the remaining compounsd also inhibited virus replication but only at millimolar concentrations. Pretreatment experiments with various calcium chelators, channel antagonists or endoplasmic reticulum release inhibitors supported a calcium mediated mechanism of action for five of these compounds. The mechanism of antiviral action for the remaining three compounds is currently unknown.
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