Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4246923

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(-c2ccc3c(N4CCOCC4)nc(C(CO)CO)nc3n2)cc1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4246923
Phase Preclinical
Structure Type MOL
InChI Key OPJYDWPUMASRLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
1.10
ALogP
9
HBA
3
HBD
121.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O5
MW 426.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
29945756 10.1016/j.bmc.2018.06.025 Serine/threonine-protein kinase mTOR 1
29945756 10.1016/j.bmc.2018.06.025 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
29945756 10.1016/j.bmc.2018.06.025 U-87 MG 1
29945756 10.1016/j.bmc.2018.06.025 MCF7 1
29945756 10.1016/j.bmc.2018.06.025 PC-3 1
29945756 10.1016/j.bmc.2018.06.025 SK-OV-3 1

Data from ChEMBL 36 via Core Engine