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Compound Detail

CHEMBL3586671

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

Basic Information

ChEMBL ID CHEMBL3586671
Phase Preclinical
Structure Type MOL
InChI Key FAKCVIQSIHNJKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
2.25
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N5O2S
MW 333.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.44

Activity Summary

Ki 1 meas. best 10.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
Ki 10.18 10.18 0.1 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