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

CHEMBL491954

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
COC1=C[C@@H](O)C[C@@H](C)[C@]12Oc1c(Cl)c(O)cc(OC)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491954
Phase Preclinical
Structure Type MOL
InChI Key JDWOVZABPZINND-BJLCURGVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
2.30
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClO6
MW 340.76
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.15

Literature References

PubMed DOI Target Context # Activities
19402668 10.1021/jm801517j Unchecked 1
22191585 10.1021/jm200835c Trichophyton mentagrophytes 1
22191585 10.1021/jm200835c Trichophyton rubrum 1
22191585 10.1021/jm200835c MDA-MB-231 1

Data from ChEMBL 36 via Core Engine