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

CHEMBL1096978

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
CSC1=C(N)C(=O)c2cccnc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096978
Phase Preclinical
Structure Type MOL
InChI Key FZZUEOHBJUAKKN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
0.99
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8N2O2S
MW 220.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.14

Activity Summary

IC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 5.12 5.12 7640.0 1
ADMET
CHEMBL612558
 IC50 5.08 5.08 8320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 7640.0 nM 5.12 Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay 20363637
ADMET IC50 = 8320.0 nM 5.08 Antiproliferative activity against human T cells after 48 hrs by MTT assay 20363637

Literature References

PubMed DOI Target Context # Activities
20363637 10.1016/j.bmc.2010.03.021 HL-60 1
20363637 10.1016/j.bmc.2010.03.021 ADMET 1
20363637 10.1016/j.bmc.2010.03.021 NON-PROTEIN TARGET 1
20363637 10.1016/j.bmc.2010.03.021 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine