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Compound Detail

CHEMBL2152771

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CC(C)(O)C1CCN(Cc2ccc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1

Basic Information

ChEMBL ID CHEMBL2152771
Phase Preclinical
Structure Type MOL
InChI Key SQGDUMWGWUGDIS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
1.88
ALogP
10
HBA
2
HBD
126.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N8O2
MW 464.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 8.59 7.715 2.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22672799 10.1016/j.bmcl.2012.05.027 Unchecked 3
22672799 10.1016/j.bmcl.2012.05.027 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2

Data from ChEMBL 36 via Core Engine