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

CHEMBL24706

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
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24706
Phase Preclinical
Structure Type MOL
InChI Key YJGVMLPVUAXIQN-BBLUDWJGSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
2.41
ALogP
8
HBA
1
HBD
92.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O8
MW 414.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.51

Activity Summary

IC50 3 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 7.92 7.92 12.0 1
A549
CHEMBL392
 IC50 7.92 7.92 12.0 1
HT-29
CHEMBL384
 IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 12.0 nM 7.92 In vitro cytotoxicity against the P-388 (from DBA/2 mouse) neoplastic cell line 14980682
A549 IC50 = 12.0 nM 7.92 In vitro cytotoxicity against the A-549 (human lung carcinoma) neoplastic cell l... 14980682
HT-29 IC50 = 24.0 nM 7.62 In vitro cytotoxicity against the HT-29 (human colon carcinoma) neoplastic cell ... 14980682

Literature References

PubMed DOI Target Context # Activities
14980682 10.1016/j.bmcl.2003.12.039 P388 1
14980682 10.1016/j.bmcl.2003.12.039 A549 1
14980682 10.1016/j.bmcl.2003.12.039 HT-29 1

Data from ChEMBL 36 via Core Engine