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

CHEMBL5198976

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#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(c5ccco5)CC4)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198976
Phase Preclinical
Structure Type MOL
InChI Key HPVHLFGAJGALJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
5.12
ALogP
7
HBA
2
HBD
107.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N6O2
MW 478.56
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
35413417 10.1016/j.bmcl.2022.128728 Tyrosine-protein kinase JAK1 1
35413417 10.1016/j.bmcl.2022.128728 Tyrosine-protein kinase JAK2 1
35413417 10.1016/j.bmcl.2022.128728 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine