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

CHEMBL4789561

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
Cl.Cl.O=C(Nc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(O)cc2)cc1)C1CCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789561
Phase Preclinical
Structure Type MOL
InChI Key HOKURRCGJJVAAB-RSCMZZNTSA-N
Parent Compound CHEMBL4803659
Active Moiety CHEMBL4803659
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.81
ALogP
4
HBA
4
HBD
81.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32Cl2N2O3
MW 515.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
27805390 10.1021/acs.jmedchem.6b01204 Estrogen-related receptor gamma 2

Data from ChEMBL 36 via Core Engine