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

CHEMBL104951

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(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104951
Phase Preclinical
Structure Type MOL
InChI Key KNOIYYKCMJNCBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

535.3
MW (Da)
3.05
ALogP
9
HBA
2
HBD
119.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18Cl2F2N8O2
MW 535.34
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.06

Literature References

PubMed DOI Target Context # Activities
29407959 10.1016/j.ejmech.2018.01.067 Prothrombin 2
15163182 10.1021/jm030303e Prothrombin 1
15163182 10.1021/jm030303e NON-PROTEIN TARGET 1
29407959 10.1016/j.ejmech.2018.01.067 Plasma 1

Data from ChEMBL 36 via Core Engine