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

CHEMBL1962643

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
N=C(CF)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962643
Phase Preclinical
Structure Type MOL
InChI Key HBEIARVCIYYMOR-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
0.29
ALogP
4
HBA
5
HBD
145.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19FN4O4
MW 338.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
23420624 10.1021/ml300288d Unchecked 3
23420624 10.1021/ml300288d Protein-arginine deiminase type-4 1
23420624 10.1021/ml300288d Protein-arginine deiminase type-3 1
23420624 10.1021/ml300288d Protein-arginine deiminase type-2 1
23420624 10.1021/ml300288d Protein-arginine deiminase type-1 1

Data from ChEMBL 36 via Core Engine