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

CHEMBL480485

ASPOCHALASIN K
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
CO[C@H]1[C@@H](O)CC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480485
Name ASPOCHALASIN K
Phase Preclinical
Structure Type MOL
InChI Key VDFBOYQHOXIVOC-LJICDNDHSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
2.78
ALogP
5
HBA
3
HBD
95.9
PSA (Ų)
0.47
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 C25H39NO5
MW 433.59
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.76

Activity Summary

IC50 3 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 4.88 4.88 13100.0 1
NCI-H460
CHEMBL396
 IC50 4.84 4.84 14300.0 1
SF-268
CHEMBL613977
 IC50 4.7 4.7 19900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 13100.0 nM 4.88 Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay 15043404
NCI-H460 IC50 = 14300.0 nM 4.84 Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay 15043404
SF-268 IC50 = 19900.0 nM 4.7 Cytotoxicity against human SF268 cells after 48 hrs by MTT assay 15043404

Literature References

PubMed DOI Target Context # Activities
15043404 10.1021/np030353m NCI-H460 1
15043404 10.1021/np030353m MCF7 1
15043404 10.1021/np030353m SF-268 1

Data from ChEMBL 36 via Core Engine