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Compound Detail

CHEMBL5184873

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c1ccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)cc1

Basic Information

ChEMBL ID CHEMBL5184873
Phase Preclinical
Structure Type MOL
InChI Key GKDIQPSDECZDFN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.87
ALogP
5
HBA
4
HBD
77.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6
MW 308.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PAK 4
CHEMBL4482
IC50 5.53 5.53 2940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35272236 10.1016/j.bmc.2022.116700 Serine/threonine-protein kinase PAK 4 2

Data from ChEMBL 36 via Core Engine