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

CHEMBL111234

DIHYDRORESVERATROL
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
Oc1ccc(CCc2cc(O)cc(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111234
Name DIHYDRORESVERATROL
Phase Preclinical
Structure Type MOL
InChI Key HITJFUSPLYBJPE-UHFFFAOYSA-N
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.59
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H14O3
MW 230.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.70

Activity Summary

IC50 6 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 10.0 7.26 0.1 2
Ileum
CHEMBL613680
 IC50 5.76 5.76 1750.0 1
Mus musculus
CHEMBL375
 IC50 4.12 4.12 76000.0 1
Leukotriene A-4 hydrolase
CHEMBL4618
 IC50 3.84 3.725 145000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 0.1 nM 10.0 Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay 20813524
Ileum IC50 = 1750.0 nM 5.76 Spasmolytic activity in guinea pig ileum assessed as inhibition of spontaneous c... 14987052
MCF7 IC50 = 30300.0 nM 4.52 Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay 22115839
Mus musculus IC50 = 76000.0 nM 4.12 Inhibitory activity against nitric oxide production in LPS-activated mouse perit... 10714491
Leukotriene A-4 hydrolase IC50 = 145000.0 nM 3.84 Inhibition of peptidase activity of human recombinant LTA4H expressed in Escheri... 19618939
Leukotriene A-4 hydrolase IC50 = 247000.0 nM 3.61 Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escheri... 19618939

Literature References

PubMed DOI Target Context # Activities
28576617 10.1016/j.bmcl.2017.05.025 Transient receptor potential cation channel subfamily A member 1 7
22115839 10.1016/j.bmc.2011.09.031 NAD(P)H dehydrogenase [quinone] 1 5
29150333 10.1016/j.ejmech.2017.10.014 A-375 4
14987052 10.1021/np030303h Ileum 3
19618939 10.1021/jm900259h Leukotriene A-4 hydrolase 2
26204233 10.1021/acs.jmedchem.5b00536 ADMET 2
28625364 10.1016/j.bmcl.2017.05.080 Transthyretin 2
29150333 10.1016/j.ejmech.2017.10.014 Tyrosinase 2
22115839 10.1016/j.bmc.2011.09.031 Aromatase 2
15043422 10.1021/np0303153 Unchecked 2
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 1
14987052 10.1021/np030303h Calmodulin 1
22115839 10.1016/j.bmc.2011.09.031 Radical scavenging activity 1
22115839 10.1016/j.bmc.2011.09.031 Unchecked 1
20813524 10.1016/j.bmcl.2010.08.002 K562 1
20813524 10.1016/j.bmcl.2010.08.002 MCF7 1
29150333 10.1016/j.ejmech.2017.10.014 No relevant target 1
20813524 10.1016/j.bmcl.2010.08.002 MDA-MB-231 1
20004046 10.1016/j.ejmech.2009.11.044 NON-PROTEIN TARGET 1
19618939 10.1021/jm900259h No relevant target 1

Data from ChEMBL 36 via Core Engine