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

CHEMBL72464

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
COCCNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72464
Phase Preclinical
Structure Type MOL
InChI Key NPPFDXWLDXFLDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
3.11
ALogP
8
HBA
2
HBD
110.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN6O3S
MW 458.93
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
15081017 10.1016/j.bmcl.2004.02.015 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine