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

CHEMBL347130

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
CC(C)CCOc1ccc(C(=C(C#N)c2ccccc2)c2ccc(OCCC(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347130
Phase Preclinical
Structure Type MOL
InChI Key QXQKEMJOXYHFEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
8.02
ALogP
3
HBA
0
HBD
42.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35NO2
MW 453.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
1738150 10.1021/jm00081a021 MCF7S 6
1738150 10.1021/jm00081a021 Estrogen receptor 2
1738150 10.1021/jm00081a021 Protein kinase C, PKC; classical 2
1738150 10.1021/jm00081a021 BT-20 2
1738150 10.1021/jm00081a021 Unchecked 1

Data from ChEMBL 36 via Core Engine