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

CHEMBL4535279

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
C[C@@H](CO)CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4535279
Phase Preclinical
Structure Type MOL
InChI Key LNVBQOJPDQKZTL-RQJABVFESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
4.21
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O5
MW 350.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.92

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26960032 10.1021/acs.jnatprod.5b01128 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine