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

CHEMBL394568

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
NC(=S)N/N=C(\c1cccc([N+](=O)[O-])c1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394568
Phase Preclinical
Structure Type MOL
InChI Key HXNQGIAFXDHXCH-FOWTUZBSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
1.58
ALogP
5
HBA
2
HBD
106.4
PSA (Ų)
0.38
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 C13H11N5O2S
MW 301.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SK-N-MC
CHEMBL614163
 IC50 5.42 5.42 3820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SK-N-MC IC50 = 3820.0 nM 5.42 Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay 17602603

Literature References

PubMed DOI Target Context # Activities
17602603 10.1021/jm070445z SK-N-MC 3
17602603 10.1021/jm070445z No relevant target 1

Data from ChEMBL 36 via Core Engine