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

CHEMBL291150

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(=O)Oc1cc2c(cc1OC(C)=O)-c1cc3cc(OC(C)=O)c(OC(C)=O)cc3n1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291150
Phase Preclinical
Structure Type MOL
InChI Key LPTOXPIXTBWTQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

451.4
MW (Da)
3.57
ALogP
9
HBA
0
HBD
110.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO8
MW 451.43
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
6248642 10.1021/jm00180a013 Adrenergic receptor beta 1
6248642 10.1021/jm00180a013 Dopamine receptor 1
6248642 10.1021/jm00180a013 Adrenergic receptor alpha 1
2296015 10.1021/jm00163a026 Estrogen receptor 1
2296015 10.1021/jm00163a026 Androgen Receptor 1

Data from ChEMBL 36 via Core Engine