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

CHEMBL1796379

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
NC1(CCn2ncc(=O)[nH]c2=O)OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1796379
Phase Preclinical
Structure Type MOL
InChI Key QQMTXGWYTSLIGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

450.4
MW (Da)
1.18
ALogP
9
HBA
2
HBD
138.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O6
MW 450.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
21524828 10.1016/j.ejmech.2011.03.066 WI-38 1
21524828 10.1016/j.ejmech.2011.03.066 MIA PaCa-2 1
21524828 10.1016/j.ejmech.2011.03.066 SW-620 1
21524828 10.1016/j.ejmech.2011.03.066 HepG2 1
21524828 10.1016/j.ejmech.2011.03.066 MCF7 1
21524828 10.1016/j.ejmech.2011.03.066 HeLa 1

Data from ChEMBL 36 via Core Engine