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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3099695
CHEMBL3099695
Compound Name OSILODROSTAT
ChEMBL Synonyms OSILODROSTAT PHOSPHATE | LCI699-NX | LCI699-AZA | OSILODROSTAT
Max Phase 3
Trade Names
Molecular Formula C13H10FN3

Additional synonyms for CHEMBL3099695 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cc(ccc1[C@H]2CCc3cncn23)C#N
Standard InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16- ...
Download InChI
Standard InChI Key USUZGMWDZDXMDG-CYBMUJFWSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL3099695

Molecule Features

CHEMBL3099695 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Liver DiseasesD008107EFO:0001421liver disease1ClinicalTrials
Pituitary ACTH HypersecretionD047748EFO:1001110pituitary-dependent Cushing's disease3ClinicalTrials

Clinical Data

ClinicalTrials.gov OSILODROSTAT
The Cochrane Collaboration OSILODROSTAT

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL3099695. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2722 Cytochrome P450 11B2 Homo sapiens 1.000
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.929

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2722 Cytochrome P450 11B2 Homo sapiens 1.000
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 1.000
CHEMBL4135 Geranylgeranyl transferase type I beta subunit Homo sapiens 0.990
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.947
CHEMBL240 HERG Homo sapiens 0.683

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
227.2 227.0859 2.43 1 41.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.96 1.04 .9 2 17 0.75

Structural Alerts

There are no structural alerts for CHEMBL3099695

Compound Cross References

ChemSpider ChemSpider:USUZGMWDZDXMDG-CYBMUJFWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3099695



BindingDB 50444549
DrugBank DB11837
EPA CompTox Dashboard DTXSID40156570
FDA SRS 5YL4IQ1078
Guide to Pharmacology 8310
MolPort MolPort-044-560-410
PubChem 44139752
PubChem: Thomson Pharma 85095657
SureChEMBL SCHEMBL12460772
ZINC ZINC000072318114

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/USUZGMWDZDXMDG-CYBMUJFWSA-N spacer
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