Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL162357

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1nc2cc[nH]cc-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162357
Phase Preclinical
Structure Type MOL
InChI Key XXSWFEGBSSSQMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

462.0
MW (Da)
2.81
ALogP
6
HBA
1
HBD
99.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN5O3S2
MW 461.96
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
12593648 10.1021/jm020384z Coagulation factor X 1
12593648 10.1021/jm020384z Prothrombin 1
12593648 10.1021/jm020384z Serine protease 1 1
12593648 10.1021/jm020384z No relevant target 1

Data from ChEMBL 36 via Core Engine