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

CHEMBL4165312

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
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2)n2c(=S)nc(C)n2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165312
Phase Preclinical
Structure Type MOL
InChI Key OZUXDDPNPDIZRP-MFOYZWKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

562.2
MW (Da)
5.16
ALogP
8
HBA
0
HBD
78.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14Br2N4O3S
MW 562.24
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
30025350 10.1016/j.ejmech.2018.07.003 MCF7 1
30025350 10.1016/j.ejmech.2018.07.003 Unchecked 1

Data from ChEMBL 36 via Core Engine