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Compound Detail

CHEMBL3586672

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CCCOCCNC(=O)Nc1nc2c(s1)CN(c1cncc(OC)c1)CC2

Basic Information

ChEMBL ID CHEMBL3586672
Phase Preclinical
Structure Type MOL
InChI Key HEZDNJBRVAQMFB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
2.66
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N5O3S
MW 391.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.32

Activity Summary

Ki 1 meas. best 10.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
Ki 10.96 10.96 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine