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Compound Detail

CHEMBL465767

HYRTIOSULAWESINE
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O=C(c1c[nH]c2ccc(O)cc12)c1nccc2c1[nH]c1ccc(O)cc12

Basic Information

ChEMBL ID CHEMBL465767
Name HYRTIOSULAWESINE
Phase Preclinical
Structure Type MOL
InChI Key OATSYJQLKPRTBO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
3.84
ALogP
4
HBA
4
HBD
102.0
PSA (Ų)
0.37
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 C20H13N3O3
MW 343.34
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness 0.53

Activity Summary

IC50 2 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.89 5.89 1300.0 1
Phospholipase A2 alpha
CHEMBL5711
IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17190441 10.1021/np060132r Phospholipase A2 alpha 1
36931118 10.1016/j.ejmech.2023.115247 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine