20181 <common-name>Saralasin</common-name> <description>Saralasin is an organic compound with the chemical formula C42H65N13O10. Saralasin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 912.06 g/mol, Saralasin is a heavy molecule. In terms of biological activity, it acts as an inhibitor of two protein targets: the Type-1 angiotensin II receptor (AGTR1) and the Type-2 angiotensin II receptor (AGTR2).</description> <cas>34273-10-4</cas> <pubchem-id>6324663</pubchem-id> <chemical-formula>C42H65N13O10</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T05:48:02Z</created-at> <updated-at type="dateTime">2026-05-14T18:23:51Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB06763</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@](C)(N=C(O)[C@]1([H])CCCN1C(=O)[C@]([H])(CC1=CN=CN1)N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CC1=CC=C(O)C=C1)N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)CNC)C(C)C)C(C)C)C(O)=O</moldb-smiles> <moldb-formula>C42H65N13O10</moldb-formula> <moldb-inchi>InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1</moldb-inchi> <moldb-inchikey>PFGWGEPQIUAZME-NXSMLHPHSA-N</moldb-inchikey> <moldb-average-mass type="decimal">912.063</moldb-average-mass> <moldb-mono-mass type="decimal">911.497735345</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-4.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM019076</chemdb-id> <dsstox-id>DTXSID2046549</dsstox-id> <toxcast-id>46549</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00073478</susdat-id> <iupac>(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-[(diaminomethylidene)amino]-2-[2-(methylamino)acetamido]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}propanoic acid</iupac> <moldb-polar-surface-area>375.99000000000007</moldb-polar-surface-area> <moldb-refractivity>248.25770000000014</moldb-refractivity> <moldb-polarizability>95.33231127045845</moldb-polarizability> <moldb-rotatable-bond-count>25</moldb-rotatable-bond-count> <moldb-acceptor-count>21</moldb-acceptor-count> <moldb-donor-count>13</moldb-donor-count> <moldb-pka-strongest-acidic>2.9011235997706244</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>11.942954477881758</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.01</moldb-alogps-logp> <moldb-alogps-logs>-4.19</moldb-alogps-logs> <moldb-alogps-solubility>5.94e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">1864</paper-count> <sync-id>CED0009352</sync-id> <structure-inchikey>PFGWGEPQIUAZME-NXSMLHPHSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000180020008000000080000000000044400002000002000000000100000020000000004200000200400000000000002000408000080001000001000000000000420000000010000002000100000100808400400104000000000000003000000000000400000000a0200020201004000100401000000001008800000400000020000802004000000800010000000000000000000000000000000000040040000000008000828000000000a0080100000048800000200000180000000000000003000000000000000000000010000000000000220100430000020000000000800000048001000410400000200000000000010000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABBAAAAQwAAAIABBiA0AAAAAgEEBgBgAAAA AQMHACgAAAADAwYAKAAAAAMECABoAAAAAwEBBiA0AAAAAgEEBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBiA0AAAA AgEEBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQdAKAAAAAMDBkBoAAAAAwMB B0A4AAAAAwEDBwAoAAAAAwMGACgAAAADBAgAaAAAAAMBAQYgNAAAAAEBBAcA KAAAAAMDBgAoAAAAAwQIAGgAAAADAQEGIDQAAAACAQQGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQIAGgAAAADAQEGQGgAAAAD AwEGQGgAAAADAwEHACgAAAADAwYAKAAAAAMECABoAAAAAwEBBiA0AAAAAQEE BwAoAAAAAwMGACgAAAADBAgAaAAAAAMBAQYgNAAAAAIBBAYAYAAAAAICBgBg AAAAAgIGAGAAAAACAgcAaAAAAAMCAQYAKAAAAAMEBwBoAAAAAwECBwBoAAAA AwIBBwAoAAAAAwMGACgAAAADBAgAaAAAAAMBAQYAYAAAAAICBwBgAAAAAgEG AGAAAAABAwYAYAAAAAMBBgBgAAAAAQMGAGAAAAABAwYAYAAAAAMBBgBgAAAA AQMGAGAAAAABAwYAKAAAAAMECABoAAAAAwEBCAAoAAAAAwILAAEAAAIAAgMo AgMEIAMFAAUGAAYHAAcIAAgJAAkKIAoLKAIKDAAMDQANDgAOD2gMDxBoDBAR aAwREmgMDBMAExQoAhQVIBQWABYXABcYKAIYGSAYGgAaGwAbHAAcHWgMHR5o DB4faAwfICAfIWgMISJoDBojACMkKAIkJSAkJgAmJwAnKCgCKCkgKCoAKisA KywALC0ALS4ALi8gLzAgLzEoAioyADIzKAIzNCAzNQA1NgA2NwAmOAA4OQA4 OgAWOwA7PAA7PQAAPgA+PyA+QCgCCQUAEg5oDCIcaAxCAwAAAAUFBgcICQUP DhIREAYdHh8hIhwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:08:00Z</structure-indexed-at> </compound>