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Compound Detail

CHEMBL3586667

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COc1ccc(N2CCc3nc(NC(C)=O)sc3C2)cn1

Basic Information

ChEMBL ID CHEMBL3586667
Phase Preclinical
Structure Type MOL
InChI Key AKXHXILPRZZFHJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.07
ALogP
6
HBA
1
HBD
67.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N4O2S
MW 304.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.55

Activity Summary

Ki 1 meas. best 9.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
Ki 9.48 9.48 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26121481 10.1021/acs.jmedchem.5b00498 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine