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

CHEMBL523296

UVARETIN
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(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523296
Name UVARETIN
Phase Preclinical
Structure Type MOL
InChI Key LQHGGFQNRNEFIG-UHFFFAOYSA-N
8
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.22
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H22O5
MW 378.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.90

Activity Summary

IC50 6 meas. best 5.7
EC50 4 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MIA PaCa-2
CHEMBL614725
 IC50 5.7 5.7 2000.0 1
A549
CHEMBL392
 IC50 5.66 5.66 2200.0 1
U-937
CHEMBL612794
 IC50 5.44 5.44 3600.0 1
HeLa
CHEMBL399
 IC50 5.43 5.43 3700.0 1
Staphylococcus epidermidis
CHEMBL353
 IC50 5.1 5.1 7900.0 1
Bacillus subtilis
CHEMBL359
 EC50 5.06 5.06 8700.0 1
MCF7
CHEMBL387
 EC50 4.99 4.99 10200.0 1
REH
CHEMBL2366320
 IC50 4.95 4.95 11300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MIA PaCa-2 IC50 = 2000.0 nM 5.7 Cytotoxicity against human MIAPaCa2 cells assessed as reduction in cell viabilit... 31673309
A549 IC50 = 2200.0 nM 5.66 Cytotoxicity against human A549 cells assessed as reduction in cell viability in... 31673309
U-937 IC50 = 3600.0 nM 5.44 Cytotoxicity against human U937 cells assessed as reduction in cell viability in... 31673309
HeLa IC50 = 3700.0 nM 5.43 Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... 31673309
Staphylococcus epidermidis IC50 = 7900.0 nM 5.1 Antibacterial activity against Staphylococcus epidermidis ATCC 35984 assessed as... 34802242
Bacillus subtilis EC50 = 8700.0 nM 5.06 Antibacterial activity against Bacillus subtilis NBRC/ATCC 111470 assessed as re... 34802242
MCF7 EC50 = 10200.0 nM 4.99 Cytotoxicity against human MCF7 cells after 24 hrs by PrestoBlue cell viability ... 31986029
REH IC50 = 11300.0 nM 4.95 Cytotoxicity against human REH cells assessed as reduction in cell viability inc... 31673309

Literature References

PubMed DOI Target Context # Activities
31673309 10.1039/C9MD00052F HCT-116 4
34802242 10.1021/acs.jnatprod.1c00811 Pectobacterium carotovorum 2
34802242 10.1021/acs.jnatprod.1c00811 Escherichia coli 2
34802242 10.1021/acs.jnatprod.1c00811 Staphylococcus epidermidis 2
34802242 10.1021/acs.jnatprod.1c00811 Bacillus subtilis 2
31986029 10.1021/acs.jnatprod.9b00363 MCF7 1
34802242 10.1021/acs.jnatprod.1c00811 Paraburkholderia caledonica 1
34802242 10.1021/acs.jnatprod.1c00811 MCF7 1
34802242 10.1021/acs.jnatprod.1c00811 Pseudomonas putida 1
34802242 10.1021/acs.jnatprod.1c00811 Enterococcus raffinosus 1
34995690 10.1016/j.bmcl.2021.128524 A-431 1
9748386 10.1021/np980041x Plasmodium falciparum 1
31986029 10.1021/acs.jnatprod.9b00363 Bacillus subtilis 1
31986029 10.1021/acs.jnatprod.9b00363 Escherichia coli 1
31673309 10.1039/C9MD00052F REH 1
31673309 10.1039/C9MD00052F MIA PaCa-2 1
31673309 10.1039/C9MD00052F A549 1
31673309 10.1039/C9MD00052F U-937 1
31673309 10.1039/C9MD00052F HeLa 1
521818 10.1021/np50005a008 P388 1

Data from ChEMBL 36 via Core Engine