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

CHEMBL4587630

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
Cn1cc(-c2c[nH]c3ncc(F)cc23)nc(NCCc2cccs2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587630
Phase Preclinical
Structure Type MOL
InChI Key BHJXRJSJSWLNLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.18
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN5OS
MW 369.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
31053507 10.1016/j.bmcl.2019.04.042 Unchecked 1

Data from ChEMBL 36 via Core Engine