135465 <common-name>ASP-4058</common-name> <description>ASP-4058 is an organic compound with the formula C19H12F6N4O2 and an average molecular weight of 442.32 g/mol. ASP-4058 belongs to the oxadiazoles, a subclass of azoles within the organic compounds. In terms of biological activity, the compound has two recorded protein targets, acting as a modulator of Sphingosine 1-phosphate receptor 1 (S1PR1) and Sphingosine 1-phosphate receptor 5 (S1PR5).</description> <cas>952565-91-2</cas> <pubchem-id>16755143</pubchem-id> <chemical-formula>C19H12F6N4O2</chemical-formula> <weight>442.3</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">2026-04-14T18:24:54Z</created-at> <updated-at type="dateTime">2026-08-20T01:47:25Z</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>DB11819</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>C[C@H](OC1=CC=C(C=C1C(F)(F)F)C1=NC(=NO1)C1=CC=C2NC=NC2=C1)C(F)(F)F</moldb-smiles> <moldb-formula>C19H12F6N4O2</moldb-formula> <moldb-inchi>InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1</moldb-inchi> <moldb-inchikey>NJNXCJPSMWKXHO-VIFPVBQESA-N</moldb-inchikey> <moldb-average-mass type="decimal">442.321</moldb-average-mass> <moldb-mono-mass type="decimal">442.08644462</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.54</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>CHEM131358</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>5-{5-[3-(trifluoromethyl)-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Oxadiazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0090603</sync-id> <structure-inchikey>NJNXCJPSMWKXHO-VIFPVBQESA-N</structure-inchikey> 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