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

CHEMBL401398

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
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401398
Phase Preclinical
Structure Type MOL
InChI Key MWDKQJURSWSGMB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
4.14
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2S3
MW 417.58
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.87

Activity Summary

Ki 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement C1s subcomponent
CHEMBL3913
 Ki 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement C1s subcomponent Ki = 20.0 nM 7.7 Inhibition of Complement C1s subcomponent 18242991

Literature References

PubMed DOI Target Context # Activities
18242991 10.1016/j.bmcl.2008.01.064 Complement C1s subcomponent 1

Data from ChEMBL 36 via Core Engine