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

CHEMBL410505

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
CCn1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2cccc(OC)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410505
Phase Preclinical
Structure Type MOL
InChI Key MCPPMVYCNIJPMR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.51
ALogP
7
HBA
1
HBD
84.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O5
MW 384.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.21

Activity Summary

IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.04 5.04 9100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 9100.0 nM 5.04 Antiproliferative activity against human Molt4/C8 cells 18260616

Literature References

PubMed DOI Target Context # Activities
18260616 10.1021/jm7011547 L1210 1
18260616 10.1021/jm7011547 FM3A 1
18260616 10.1021/jm7011547 CCRF-CEM 1
18260616 10.1021/jm7011547 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine