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

CHEMBL353229

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
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(F)cc3)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353229
Phase Preclinical
Structure Type MOL
InChI Key KDIGTKNJQUPKGX-WLZNGNGHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

527.9
MW (Da)
5.02
ALogP
8
HBA
2
HBD
95.5
PSA (Ų)
0.45
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23ClFNO7
MW 527.93
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.87

Literature References

PubMed DOI Target Context # Activities
1312600 10.1021/jm00083a009 ADMET 1
1312600 10.1021/jm00083a009 DNA topoisomerase II 1
1312600 10.1021/jm00083a009 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine