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

CHEMBL412823

OLDHAMACTAM
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
COc1c(OC)c(OC)c2c3c(cc4c(O)cccc42)NC(=O)c13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL412823
Name OLDHAMACTAM
Phase Preclinical
Structure Type MOL
InChI Key XPAJKJNXGTXSLZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
3.29
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.72
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 C18H15NO5
MW 325.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.32

Activity Summary

IC50 2 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T-cell
CHEMBL614309
 IC50 4.64 4.64 22800.0 1
B-cell
CHEMBL614701
 IC50 4.38 4.38 41700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T-cell IC50 = 22800.0 nM 4.64 Inhibition of ConA-induced BALB/c mouse T cell proliferation 17081761
B-cell IC50 = 41700.0 nM 4.38 Inhibition of LPS-induced BALB/c mouse B cell proliferation 17081761

Literature References

PubMed DOI Target Context # Activities
17081761 10.1016/j.bmc.2006.10.034 T-cell 2
17081761 10.1016/j.bmc.2006.10.034 ADMET 1
17081761 10.1016/j.bmc.2006.10.034 B-cell 1
17081761 10.1016/j.bmc.2006.10.034 Unchecked 1

Data from ChEMBL 36 via Core Engine