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

CHEMBL254410

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
Cc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCC4=O)cc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254410
Phase Preclinical
Structure Type MOL
InChI Key XGRNLVFNWUBURD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
4.59
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N4O
MW 396.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
18159923 10.1021/jm701217r Unchecked 1
18159923 10.1021/jm701217r Coagulation factor X 1
18159923 10.1021/jm701217r Trypsin 1

Data from ChEMBL 36 via Core Engine