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

CHEMBL3322358

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=C1Nc2ccccc2C1(O)c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322358
Phase Preclinical
Structure Type MOL
InChI Key LLSIEQLHMGACNA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
2.36
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O2
MW 264.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.39

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25016373 10.1016/j.ejmech.2014.07.004 NON-PROTEIN TARGET 1
25016373 10.1016/j.ejmech.2014.07.004 THP-1 1
25016373 10.1016/j.ejmech.2014.07.004 A549 1
25016373 10.1016/j.ejmech.2014.07.004 MCF7 1
36307033 10.1016/j.bmcl.2022.129037 Acetylcholinesterase 1
36307033 10.1016/j.bmcl.2022.129037 Cholinesterase 1
36307033 10.1016/j.bmcl.2022.129037 Unchecked 1

Data from ChEMBL 36 via Core Engine