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

CHEMBL98610

CARDOL
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
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98610
Name CARDOL
Phase Preclinical
Structure Type MOL
InChI Key KVVSCMOUFCNCGX-UHFFFAOYSA-N
11
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
6.73
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H36O2
MW 320.52
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.57

Activity Summary

IC50 14 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A2780
CHEMBL614004
 IC50 5.88 5.88 1310.0 1
A549
CHEMBL392
 IC50 5.84 5.84 1430.0 1
HCT-8
CHEMBL613510
 IC50 5.83 5.83 1480.0 1
BGC-823
CHEMBL614526
 IC50 5.76 5.76 1740.0 1
Bel-7402
CHEMBL614279
 IC50 5.71 5.71 1930.0 1
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 5.63 5.63 2360.0 1
FM3A
CHEMBL614297
 IC50 5.55 5.55 2800.0 1
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 5.25 5.25 5610.0 1
NCI-H460
CHEMBL396
 IC50 4.47 4.47 34200.0 2
MCF7
CHEMBL387
 IC50 4.43 4.43 37000.0 2
SF-268
CHEMBL613977
 IC50 4.4 4.4 39800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A2780 IC50 = 1310.0 nM 5.88 Cytotoxicity against human A2780 cells after 96 hrs by MTT assay 17125236
A549 IC50 = 1430.0 nM 5.84 Cytotoxicity against human A549 cells after 96 hrs by MTT assay 17125236
HCT-8 IC50 = 1480.0 nM 5.83 Cytotoxicity against human HCT8 cells after 96 hrs by MTT assay 17125236
BGC-823 IC50 = 1740.0 nM 5.76 Cytotoxicity against human BGC-823 cells after 96 hrs by MTT assay 17125236
Bel-7402 IC50 = 1930.0 nM 5.71 Cytotoxicity against human Bel-7402 cells after 96 hrs by MTT assay 17125236
Prostaglandin G/H synthase 2 IC50 = 2360.0 nM 5.63 Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using ... 32738413
FM3A IC50 = 2800.0 nM 5.55 Growth inhibition of mouse FM3A cells 21658963
Prostaglandin G/H synthase 1 IC50 = 5610.0 nM 5.25 Inhibition of ovine COX-1 assessed as reduction in PGE2 level using 10 uM arachi... 32738413
NCI-H460 IC50 = 34200.0 nM 4.47 Cytotoxicity against human NCI-H460 cells 17243726
NCI-H460 IC50 = 34200.0 nM 4.47 Growth inhibition of human NCI-H460 cells 21658963
MCF7 IC50 = 37000.0 nM 4.43 Cytotoxicity against human MCF7 cells 17243726
MCF7 IC50 = 37000.0 nM 4.43 Growth inhibition of human MCF7 cells 21658963
SF-268 IC50 = 39800.0 nM 4.4 Cytotoxicity against human SF268 cells 17243726

Literature References

PubMed DOI Target Context # Activities
8021657 10.1021/np50106a021 Tyrosinase 3
2939241 10.1021/jm00155a003 Cavia porcellus 3
8201311 10.1021/np50105a007 MCF7 1
32738413 10.1016/j.ejmech.2020.112620 Polyunsaturated fatty acid 5-lipoxygenase 1
17125236 10.1021/np060284m Prothrombin 1
17125236 10.1021/np060284m Tyrosine-protein phosphatase non-receptor type 1 1
17125236 10.1021/np060284m HCT-8 1
17125236 10.1021/np060284m BGC-823 1
17125236 10.1021/np060284m Bel-7402 1
17125236 10.1021/np060284m A2780 1
17125236 10.1021/np060284m A549 1
8201311 10.1021/np50105a007 HT-29 1
8201311 10.1021/np50105a007 A549 1
8201311 10.1021/np50105a007 Agrobacterium tumefaciens 1
8201311 10.1021/np50105a007 Artemia 1
- 10.1021/np50114a025 Seed linoleate 13S-lipoxygenase-1 1
17243726 10.1021/np0605687 SF-268 1
17243726 10.1021/np0605687 NCI-H460 1
17243726 10.1021/np0605687 MCF7 1
10571153 10.1016/s0960-894x(99)00508-9 Escherichia coli 1

Data from ChEMBL 36 via Core Engine