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

CHEMBL4530035

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
CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(=O)O)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4530035
Phase Preclinical
Structure Type MOL
InChI Key OSWPUNQXRZLWLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
3.17
ALogP
7
HBA
4
HBD
125.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18FN5O4
MW 411.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
31318208 10.1021/acs.jmedchem.9b00444 JAK1/TYK2 1
31318208 10.1021/acs.jmedchem.9b00444 Non-receptor tyrosine-protein kinase TYK2 1
31318208 10.1021/acs.jmedchem.9b00444 ADMET 1

Data from ChEMBL 36 via Core Engine