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Compound Detail

CHEMBL5423317

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COc1ccc2c(c1OC)N=C(NC(=O)c1ccc(N)nc1)N1CCN=C21

Basic Information

ChEMBL ID CHEMBL5423317
Phase Preclinical
Structure Type MOL
InChI Key LKHYBZAPEXNCLR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.17
ALogP
8
HBA
2
HBD
114.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N6O3
MW 366.38
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
CHEMBL1075102
IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37819647 10.1021/acs.jmedchem.3c01319 Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha 1

Data from ChEMBL 36 via Core Engine