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

CHEMBL41092

CHRYSOPHANOL
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
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41092
Name CHRYSOPHANOL
Phase Preclinical
Structure Type MOL
InChI Key LQGUBLBATBMXHT-UHFFFAOYSA-N
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.18
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10O4
MW 254.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.03

Activity Summary

IC50 10 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H157
CHEMBL614783
 IC50 5.57 5.57 2700.0 1
A549
CHEMBL392
 IC50 5.24 5.24 5700.0 1
Neutrophil elastase
CHEMBL248
 IC50 4.75 4.75 18000.0 1
Prostaglandin G/H synthase 2
CHEMBL4102
 IC50 4.44 4.44 36120.0 1
Prostaglandin G/H synthase 1
CHEMBL2949
 IC50 4.33 4.33 46210.0 1
HCT-116
CHEMBL394
 IC50 4.32 4.32 47400.0 1
Plasmodium falciparum
CHEMBL364
 IC50 4.24 4.24 58000.0 1
HepG2
CHEMBL395
 IC50 4.19 4.19 64400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H157 IC50 = 2700.0 nM 5.57 Antiproliferative activity against human NCI-H157 cells assessed as reduction in... 33691166
A549 IC50 = 5700.0 nM 5.24 Antiproliferative activity against human A549 cells assessed as reduction in cel... 33691166
Neutrophil elastase IC50 = 18000.0 nM 4.75 Compound was tested for the enzyme inhibitory activity against Human Leukocyte E... 1578486
Prostaglandin G/H synthase 2 IC50 = 36120.0 nM 4.44 Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10... 24763362
Prostaglandin G/H synthase 1 IC50 = 46210.0 nM 4.33 Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10... 24763362
HCT-116 IC50 = 47400.0 nM 4.32 Cytotoxicity against MDR1 Pgp under-expressing human HCT116 cells after 24 hrs b... 17949858
Plasmodium falciparum IC50 = 58000.0 nM 4.24 Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... 24326280
HepG2 IC50 = 64400.0 nM 4.19 Cytotoxicity against MDR1 Pgp overexpressing human HepG2 cells after 24 hrs by M... 17949858

Literature References

PubMed DOI Target Context # Activities
36781148 10.1016/j.bmcl.2023.129186 Unchecked 8
- 10.1016/S0367-326X(01)00280-5 Spodoptera litura 4
- 10.1016/S0367-326X(01)00280-5 Henosepilachna vigintioctopunctata 4
8350094 10.1021/np50096a018 Platelet 4
2213033 10.1021/np50069a014 NON-PROTEIN TARGET 3
37593578 10.1039/d3md00116d Escherichia coli 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 3
23683594 10.1016/j.bmcl.2013.04.059 Molecular identity unknown 3
11459643 10.1016/s0960-894x(01)00318-3 Estrogen receptor 3
24549242 10.1016/j.ejmech.2014.01.046 Hepatitis B virus 3
24763362 10.1016/j.ejmech.2014.04.033 Prostaglandin G/H synthase 1 2
7494143 10.1021/np50123a005 Unchecked 2
12903946 10.1021/jf034359t Botrytis cinerea 2
17220400 10.1128/aac.00999-06 Streptococcus mutans 2
19463000 10.1021/jm9003297 P2Y purinoceptor 12 2
24763362 10.1016/j.ejmech.2014.04.033 Prostaglandin G/H synthase 2 2
33691166 10.1016/j.bmcl.2021.127915 A549 2
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 2
33691166 10.1016/j.bmcl.2021.127915 NCI-H157 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2

Data from ChEMBL 36 via Core Engine