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

CHEMBL4587484

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
COc1ccc(/C=C/C(C)=N/Nc2nc(-c3cc(Br)ccc3O)cs2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587484
Phase Preclinical
Structure Type MOL
InChI Key BTFSSBUZDMYLMV-NIXQPKGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.4
MW (Da)
5.80
ALogP
7
HBA
2
HBD
76.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20BrN3O3S
MW 474.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
27437078 10.1021/acsmedchemlett.6b00088 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine