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Compound Detail

CHEMBL5614321

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O=C(O)c1ccc(-c2cncc(-n3ncc4ccc(NCCN5CCOCC5)cc43)n2)cc1

Basic Information

ChEMBL ID CHEMBL5614321
Phase Preclinical
Structure Type MOL
InChI Key XHINDHAYVUWWNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
2.92
ALogP
8
HBA
2
HBD
105.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O3
MW 444.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2600.0 nM 5.58 Inhibition of Nano Luc-fused CSNK2A (unknown origin) expressed in HEK293 cells u... 38199328

Literature References

PubMed DOI Target Context # Activities
38199328 10.1016/j.bmcl.2024.129617 Unchecked 1
38199328 10.1016/j.bmcl.2024.129617 Serine/threonine-protein kinase pim-3 1

Data from ChEMBL 36 via Core Engine