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Compound Detail

CHEMBL5564933

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CCOc1ccccc1-c1n[nH]c2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12

Basic Information

ChEMBL ID CHEMBL5564933
Phase Preclinical
Structure Type MOL
InChI Key YBFKNFLCXNGHQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
4.44
ALogP
5
HBA
1
HBD
57.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O
MW 413.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase kinase 1
CHEMBL5749
IC50 6.8 6.8 159.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38350360 10.1016/j.ejmech.2024.116206 Mitogen-activated protein kinase kinase kinase kinase 1 1

Data from ChEMBL 36 via Core Engine