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

CHEMBL4285958

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
C/C(=N\NC(=S)N1CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4285958
Phase Preclinical
Structure Type MOL
InChI Key SKPKJONUHBXEBY-UDWIEESQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
3.20
ALogP
5
HBA
2
HBD
77.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25ClN4O3S
MW 412.94
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 4.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MGC-803
CHEMBL3706566
 IC50 4.23 4.23 58370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MGC-803 IC50 = 58370.0 nM 4.23 Antiproliferative activity against human MGC803 cells after 72 hrs by MTT assay 30108734

Literature References

PubMed DOI Target Context # Activities
30108734 10.1039/C7MD00353F MGC-803 1
30108734 10.1039/C7MD00353F MCF7 1
30108734 10.1039/C7MD00353F SMMC-7721 1

Data from ChEMBL 36 via Core Engine