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Compound Detail

CHEMBL3950259

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O=c1cc(N2CCOCC2)oc2c(-c3ccc(Cl)cc3)c3ccccc3cc12

Basic Information

ChEMBL ID CHEMBL3950259
Phase Preclinical
Structure Type MOL
InChI Key WYXZVYDENPUFGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
5.10
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18ClNO3
MW 391.85
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
27765510 10.1016/j.bmcl.2016.10.003 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
27765510 10.1016/j.bmcl.2016.10.003 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
27765510 10.1016/j.bmcl.2016.10.003 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
27765510 10.1016/j.bmcl.2016.10.003 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
27765510 10.1016/j.bmcl.2016.10.003 DNA-PK/Ku70/Ku85 1
27765510 10.1016/j.bmcl.2016.10.003 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
27765510 10.1016/j.bmcl.2016.10.003 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine