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Compound Detail

CHEMBL5523660

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COc1ccc(-c2c[nH]c3ncc(-c4cnc(N5CCN(C)CC5)nc4)cc23)cc1OC

Basic Information

ChEMBL ID CHEMBL5523660
Phase Preclinical
Structure Type MOL
InChI Key JFFLTETZNIFWTL-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.46
ALogP
7
HBA
1
HBD
79.4
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 C24H26N6O2
MW 430.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.76

Activity Summary

EC50 1 meas. best 7.14
IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase kinase 1
CHEMBL5749
IC50 7.55 7.55 28.4 1
Interleukin-2
CHEMBL5880
EC50 7.14 7.14 72.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38350360 10.1016/j.ejmech.2024.116206 Interleukin-2 2
38350360 10.1016/j.ejmech.2024.116206 Mitogen-activated protein kinase kinase kinase kinase 1 1

Data from ChEMBL 36 via Core Engine