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

CHEMBL594020

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
CC(=O)Nc1ccc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594020
Phase Preclinical
Structure Type MOL
InChI Key YTOCDWXAXAGLPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
3.81
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.39
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 C23H18N4O3
MW 398.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
19682911 10.1016/j.bmc.2009.07.048 NON-PROTEIN TARGET 1
19682911 10.1016/j.bmc.2009.07.048 L1210 1
19682911 10.1016/j.bmc.2009.07.048 SK-OV-3 1

Data from ChEMBL 36 via Core Engine