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

CHEMBL453728

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
CN(C)C1=CC(=O)c2cccc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL453728
Phase Preclinical
Structure Type MOL
InChI Key XYTWWJBQCNOFLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.22
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO3
MW 217.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.49

Literature References

PubMed DOI Target Context # Activities
2558164 10.1021/np50065a012 Raji 4
2558164 10.1021/np50065a012 Unchecked 4
38381886 10.1021/acs.jmedchem.3c02107 Protein disulfide-isomerase 2
38381886 10.1021/acs.jmedchem.3c02107 Platelet 2
20304655 10.1016/j.bmc.2010.02.032 A2780 1
20304655 10.1016/j.bmc.2010.02.032 HBL-100 1
20304655 10.1016/j.bmc.2010.02.032 HeLa 1
20304655 10.1016/j.bmc.2010.02.032 SW1573 1
20304655 10.1016/j.bmc.2010.02.032 T47D 1
20304655 10.1016/j.bmc.2010.02.032 WiDr 1
38381886 10.1021/acs.jmedchem.3c02107 A549 1
38381886 10.1021/acs.jmedchem.3c02107 MDA-MB-231 1
38381886 10.1021/acs.jmedchem.3c02107 U-87 MG 1
38381886 10.1021/acs.jmedchem.3c02107 RPMI-8226 1
38381886 10.1021/acs.jmedchem.3c02107 EA.hy 926 1

Data from ChEMBL 36 via Core Engine