CTS-1027

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2QD3F58224

Structure
InChI Key ROSNVSQTEGHUKU-UHFFFAOYSA-N
Smile O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
InChI
InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20ClNO6S
Molecular Weight 425.89
AlogP 3.21
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 101.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 0-34 - 0-1 -5-102
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M12B subfamily
- 14-440 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 23360 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 2 D006526 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 193022-04-7
ChEMBL CHEMBL440498
DrugBank DB08490
EPA CompTox DTXSID90172907
FDA SRS 2QD3F58224
PDB RS1
PubChem 3342298
SureChEMBL SCHEMBL2381112
ZINC ZINC000001488366
CONTENTS