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Compound Detail

CHEMBL4474516

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O=C(C1CC1)N1CCC[C@]12C(=O)Nc1ncc(-c3ccc4nccnc4c3)cc12

Basic Information

ChEMBL ID CHEMBL4474516
Phase Preclinical
Structure Type MOL
InChI Key IDFNWMWUIBGXDM-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.87
ALogP
5
HBA
1
HBD
88.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O2
MW 385.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31416665 10.1016/j.bmcl.2019.08.004 Unchecked 3
31416665 10.1016/j.bmcl.2019.08.004 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine