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

CHEMBL4167215

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
NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167215
Phase Preclinical
Structure Type MOL
InChI Key JIELSOYMYOVYAH-YHYXMXQVSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
2.24
ALogP
4
HBA
2
HBD
62.1
PSA (Ų)
0.36
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 C12H9N3OS2
MW 275.36
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.23

Activity Summary

IC50 2 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 5.44 5.44 3610.0 1
K562
CHEMBL385
 IC50 4.65 4.65 22470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 3610.0 nM 5.44 Cytotoxicity against human HL60 cells assessed as reduction in cell viability af... 28531811
K562 IC50 = 22470.0 nM 4.65 Cytotoxicity against human K562 cells assessed as reduction in cell viability af... 28531811

Literature References

PubMed DOI Target Context # Activities
28531811 10.1016/j.ejmech.2017.05.012 Calf thymus DNA 5
28531811 10.1016/j.ejmech.2017.05.012 HL-60 1
28531811 10.1016/j.ejmech.2017.05.012 K562 1
28531811 10.1016/j.ejmech.2017.05.012 T47D 1
28531811 10.1016/j.ejmech.2017.05.012 MCF7 1
28531811 10.1016/j.ejmech.2017.05.012 DNA topoisomerase 1 1

Data from ChEMBL 36 via Core Engine