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

CHEMBL4458587

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
O=C(NO)[C@@H]1C[C@H](F)CN1Cc1ccc(C#Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458587
Phase Preclinical
Structure Type MOL
InChI Key ATLMEIKWVOTDJJ-OALUTQOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.50
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN2O2
MW 338.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
30954331 10.1016/j.bmc.2019.03.056 Escherichia coli 4
30954331 10.1016/j.bmc.2019.03.056 Unchecked 2

Data from ChEMBL 36 via Core Engine