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

CHEMBL594938

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(Nc1ccncc1)C(=O)c1cn(-c2ccc(-c3ccccc3)cc2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594938
Phase Preclinical
Structure Type MOL
InChI Key GPMKFBHVULJLOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
5.51
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H19N3O2
MW 417.47
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.13

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