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

CHEMBL5171066

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
Cc1ccc(C2CCN(c3ccc(Nc4nccc(-c5ccc(C(=O)NCC#N)cc5)n4)cc3)CC2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171066
Phase Preclinical
Structure Type MOL
InChI Key RCIYSHDQTFGLIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
5.43
ALogP
7
HBA
2
HBD
107.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N6O2
MW 492.58
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.65

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