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

CHEMBL355363

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
Cc1csc2ncnc(NCCCc3ccc(Cl)cc3)c12

Basic Information

ChEMBL ID CHEMBL355363
Phase Preclinical
Structure Type MOL
InChI Key VNYKBZZANAUSSN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.9
MW (Da)
4.70
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.69
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 C16H16ClN3S
MW 317.85
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 1300.0 nM 5.89 Cytotoxicity against P388 cells is the dose giving 50% decrease in the formation... 10206538

Literature References

PubMed DOI Target Context # Activities
10206538 10.1016/s0960-894x(99)00088-8 P388 2

Data from ChEMBL 36 via Core Engine