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Compound Detail

CHEMBL3109118

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O=S1(=O)CCN(c2nc(-c3cccc(O)c3)nc3cccnc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109118
Phase Preclinical
Structure Type MOL
InChI Key RNKIPURTYKETCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
1.63
ALogP
7
HBA
1
HBD
96.3
PSA (Ų)
0.75
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 C17H16N4O3S
MW 356.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
24345273 10.1021/jm401138v Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
24345273 10.1021/jm401138v Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
24345273 10.1021/jm401138v Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine