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

CHEMBL1916188

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
O=C1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1916188
Phase Preclinical
Structure Type MOL
InChI Key PLLFWTNDXCAINR-MRXNPFEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.65
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O5
MW 286.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.58

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23234407 10.1021/np3003673 RAW264.7 4
21800859 10.1021/np100920q MCF7 3
21800859 10.1021/np100920q Arabidopsis thaliana 1
21800859 10.1021/np100920q MDA-MB-231 1
21800859 10.1021/np100920q A549 1
21800859 10.1021/np100920q Ca9-22 1
21800859 10.1021/np100920q NON-PROTEIN TARGET 1
21800859 10.1021/np100920q HepG2 1
23234407 10.1021/np3003673 No relevant target 1

Data from ChEMBL 36 via Core Engine