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

CHEMBL3318319

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(COc1ccc2ccccc2c1)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318319
Phase Preclinical
Structure Type MOL
InChI Key KHMSIUGSHRBSJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
3.55
ALogP
8
HBA
1
HBD
103.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H17FN6O3
MW 480.46
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
25011912 10.1016/j.bmcl.2014.06.029 Monoglyceride lipase 7
25011912 10.1016/j.bmcl.2014.06.029 Homo sapiens 1
25011912 10.1016/j.bmcl.2014.06.029 No relevant target 1

Data from ChEMBL 36 via Core Engine