Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1YC4W9MSLJ

Structure

InChI Key WWONFUQGBVOKOF-UHFFFAOYSA-N
Smile O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl
InChI
InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H6BrCl2NO3S2
Molecular Weight 415.12
AlogP 3.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 63.24
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 2 D010051 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Thrombocythemia, Essential 1 D013920 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Renal Cell 1 D002292 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 519055-62-0
ChEMBL CHEMBL2110587
DrugBank DB11941
EPA CompTox DTXSID20199869
FDA SRS 1YC4W9MSLJ
PDB P7M
PubChem 10160238
SureChEMBL SCHEMBL1581371
ZINC ZINC000003816311