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Compound Detail

CHEMBL3586665

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CC(=O)Nc1nc2c(s1)CN(c1cccnc1)CC2

Basic Information

ChEMBL ID CHEMBL3586665
Phase Preclinical
Structure Type MOL
InChI Key QMAQEBYOSRRMSN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
2.06
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4OS
MW 274.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -2.50

Activity Summary

Ki 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
Ki 9.8 9.8 0.2 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