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

CHEMBL1685027

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
CCOc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCCC(C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL1685027
Phase Preclinical
Structure Type MOL
InChI Key VKBLREAORYIWRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

559.1
MW (Da)
5.30
ALogP
5
HBA
2
HBD
107.4
PSA (Ų)
0.41
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39ClN2O6
MW 559.10
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
21353782 10.1016/j.bmc.2011.01.065 Squalene synthase 1
21353782 10.1016/j.bmc.2011.01.065 No relevant target 1

Data from ChEMBL 36 via Core Engine