IROSUSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 366037O6O7

Structure
InChI Key DSLPMJSGSBLWRE-UHFFFAOYSA-N
Smile NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3
InChI
InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15NO5S
Molecular Weight 309.34
AlogP 1.64
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 99.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Steryl-sulfatase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 300-300 - - -
Enzyme Hydrolase
- 2-2600 - - 50-100
Enzyme Lyase
- 17 - 1050 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 288628-05-7
ChEMBL CHEMBL286738
DrugBank DB02292
EPA CompTox DTXSID50183059
FDA SRS 366037O6O7
PDB 667
PubChem 5287541
SureChEMBL SCHEMBL1275983
ZINC ZINC000001549366
CONTENTS