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Compound Detail

CHEMBL486600

DRACORHODIN
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COc1c2ccc(-c3ccccc3)oc-2cc(=O)c1C

Basic Information

ChEMBL ID CHEMBL486600
Name DRACORHODIN
Phase Preclinical
Structure Type MOL
InChI Key UCZJPQIEFFTIEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.73
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O3
MW 266.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.11 5.11 7700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7700.0 nM 5.11 Inhibition of porcine heart malate dehydrogenase preincubated for 5 min followed... 34812616

Literature References

PubMed DOI Target Context # Activities
34812616 10.1021/acs.jmedchem.1c01547 Unchecked 3
7153779 10.1021/np50023a024 Staphylococcus aureus 1
7153779 10.1021/np50023a024 Escherichia coli 1
7153779 10.1021/np50023a024 Salmonella enterica subsp. enterica serovar Gallinarum 1
7153779 10.1021/np50023a024 Klebsiella pneumoniae 1
7153779 10.1021/np50023a024 Mycolicibacterium smegmatis 1
7153779 10.1021/np50023a024 Candida albicans 1

Data from ChEMBL 36 via Core Engine