23178 <common-name>Indinavir</common-name> <description>Indinavir is an organic compound with the chemical formula C36H47N5O4. Indinavir 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 613.79 g/mol, Indinavir is a heavy molecule. This compound acts as an inhibitor of the Pol polyprotein and the Gag-Pol polyprotein (gag-pol). It is found in or released from two recorded sources: electrical and electronic equipment antennas, as well as healthcare, pharmaceuticals, and veterinary products specifically used as antivirals. The recorded route of exposure for Indinavir is oral.</description> <cas>150378-17-9</cas> <pubchem-id>60944</pubchem-id> <chemical-formula>C36H47N5O4</chemical-formula> <weight>613.8</weight> <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">2016-05-25T18:19:10Z</created-at> <updated-at type="dateTime">2026-08-22T11:55:59Z</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>DB00224</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>CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12</moldb-smiles> <moldb-formula>C36H47N5O4</moldb-formula> <moldb-inchi>InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1</moldb-inchi> <moldb-inchikey>CBVCZFGXHXORBI-PXQQMZJSSA-N</moldb-inchikey> <moldb-average-mass type="decimal">613.7895</moldb-average-mass> <moldb-mono-mass type="decimal">613.362805017</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.81</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4515036</chemspider-id> <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>CHEM022073</chemdb-id> <dsstox-id>DTXSID4043802</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00006974</susdat-id> <iupac>(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-[(pyridin-3-yl)methyl]piperazine-2-carboxamide</iupac> <moldb-polar-surface-area>118.02999999999999</moldb-polar-surface-area> <moldb-refractivity>175.8940999999999</moldb-refractivity> <moldb-polarizability>68.62769746136816</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>13.191398216294694</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.370810719431644</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>3.26</moldb-alogps-logp> <moldb-alogps-logs>-4.11</moldb-alogps-logs> <moldb-alogps-solubility>4.82e-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">2834</paper-count> <sync-id>CED0003319</sync-id> <structure-inchikey>CBVCZFGXHXORBI-PXQQMZJSSA-N</structure-inchikey> 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