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

CHEMBL226655

ARISTOLACTAM F II
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(O)c(OC)c2c3c(cc4ccccc42)NC(=O)c13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226655
Name ARISTOLACTAM F II
Phase Preclinical
Structure Type MOL
InChI Key UQUSUGQKCAHMQJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.28
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.71
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 C17H13NO4
MW 295.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.29

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B-cell
CHEMBL614701
 IC50 5.4 5.4 3960.0 1
T-cell
CHEMBL614309
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B-cell IC50 = 3960.0 nM 5.4 Inhibition of LPS-induced BALB/c mouse B cell proliferation 17081761
T-cell IC50 = 10000.0 nM 5.0 Inhibition of ConA-induced BALB/c mouse T cell proliferation 17081761

Literature References

PubMed DOI Target Context # Activities
10978218 10.1021/np000063v Platelet 10
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
3437282 10.1021/np50053a011 KB 1
3437282 10.1021/np50053a011 P388 1

Data from ChEMBL 36 via Core Engine