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Quick search ChEMBL 36
Compound Detail

CHEMBL509170

ILLUDIN
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CC1=C2C(=C[C@@](C)(CO)[C@@H]2O)C(=O)[C@](C)(O)C12CC2

Basic Information

ChEMBL ID CHEMBL509170
Name ILLUDIN
Phase Preclinical
Structure Type MOL
InChI Key DDLLIYKVDWPHJI-RDBSUJKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
0.72
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O4
MW 264.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.85

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 3.0 nM 8.52 Cytotoxicity against human HL60 cells after 48 hrs by trypan blue exclusion assa... 12608875

Literature References

PubMed DOI Target Context # Activities
14510611 10.1021/np030205w ADMET 13
14510611 10.1021/np030205w Human alphaherpesvirus 1 11
9051915 10.1021/np960596x P388 1
12608875 10.1021/np0204085 HL-60 1

Data from ChEMBL 36 via Core Engine