OSILODROSTAT

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Synonyms
Status
Molecule Category UNKNOWN
ATC H02CA02
UNII 5YL4IQ1078
EPA CompTox DTXSID40156570

Structure

InChI Key USUZGMWDZDXMDG-CYBMUJFWSA-N
Smiles N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1
InChI
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10FN3
Molecular Weight 227.24
AlogP 2.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 41.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay Rattus norvegicus 495.0 nM
Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay Rattus norvegicus 111.0 nM
Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay Homo sapiens 2.5 nM
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay Homo sapiens 0.7 nM
Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA Homo sapiens 9.0 nM
Inhibition of CYP11B2 (unknown origin) Homo sapiens 0.2 nM
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate Homo sapiens 0.2 nM
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate Homo sapiens 2.9 nM
Inhibition of CYP19 (unknown origin) Homo sapiens 856.0 nM
Inhibition of human CYP11B1 expressed in V79 MZ cells Homo sapiens 2.9 nM
Inhibition of human aldosterone synthase expressed in V79 MZ cells Homo sapiens 0.2 nM
Decrease in aldosterone level in sodium depleted healthy human urine administered daily for 7 days Homo sapiens 53.0 %
Decrease in aldosterone level in sodium depleted healthy human plasma administered daily for 7 days Homo sapiens 36.0 %
Decrease in aldosterone level in primary aldosteronism patient plasma at 0.5 mg, bid for 14 days Homo sapiens 68.0 %
Decrease in aldosterone level in primary aldosteronism patient plasma at 1 mg, bid for 15 days Homo sapiens 75.0 %
Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured after 45 mins by HPLC analysis Homo sapiens 0.2 nM
Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured after 25 mins by HPLC analysis Homo sapiens 2.9 nM
Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method Homo sapiens 0.2 nM
Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method Homo sapiens 2.9 nM
Reduction in plasma potassium level in Cushing's disease patient at 4 mg/day in two equal doses and dose escalated every 14 days to 10, 20, 40, and 100 mg/day Homo sapiens 8.0 %
Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells Homo sapiens 3.0 nM
Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells Mus musculus 210.0 nM
Decrease in aldosterone level in hypertension patient plasma at 0.5 mg, po dosed twice daily Homo sapiens 34.0 %
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay Homo sapiens 0.7 nM
Inhibition human recombinant CYP11B1 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay Homo sapiens 2.5 nM
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis Homo sapiens 3.0 nM
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis Homo sapiens 0.2 nM
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticosterone as substrate after 1.5 hrs in presence of NADPH by HTRF assay Homo sapiens 1.2 nM
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as substrate after 1.5 to 2 hrs in presence of NADPH by HTRF assay Homo sapiens 22.0 nM
Inhibition of cynomolgus monkey adrenal mitochondrial CYP11B2 using corticosterone as substrate after 60 mins in presence of NADPH by mass spectrometric analysis Macaca fascicularis 19.95 nM
Inhibition of cynomolgus monkey adrenal mitochondrial CYP11B1 using 11-deoxycortisol as substrate after 90 mins in presence of NADPH by mass spectrometric analysis Macaca fascicularis 39.81 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -5.55 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.11 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.11 %

Cross References

Resources Reference
ChEMBL CHEMBL3099695
DrugBank DB11837
DrugCentral 5384
FDA SRS 5YL4IQ1078
Guide to Pharmacology 8310
PDB YSY
PubChem 44139752
SureChEMBL SCHEMBL12460772
ZINC ZINC000072318114
CONTENTS