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

CHEMBL171249

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
Nc1ncnc2cc(CN3CCN(Cc4nc5cc(C(F)(F)F)ccc5[nH]4)CC3=O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171249
Phase Preclinical
Structure Type MOL
InChI Key RVRVFCFMHAOXIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
2.95
ALogP
6
HBA
2
HBD
104.0
PSA (Ų)
0.49
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 C22H20F3N7O
MW 455.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
11958994 10.1016/s0960-894x(02)00056-2 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine