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Compound Detail

CHEMBL5175767

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N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCC(c5cccs5)CC4)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175767
Phase Preclinical
Structure Type MOL
InChI Key YDUZCQDRFRMVDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
5.59
ALogP
7
HBA
2
HBD
93.9
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 C28H26N6OS
MW 494.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.85

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