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

CHEMBL4224883

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
CCn1nc(C2CC2)cc1Nc1nc(C(=O)NCCCCCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4224883
Phase Preclinical
Structure Type MOL
InChI Key UZXANFBIRSYHGO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

798.9
MW (Da)
6.13
ALogP
12
HBA
4
HBD
202.3
PSA (Ų)
0.07
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H46N10O6
MW 798.90
Aromatic Rings 6
Heavy Atoms 59
NP-Likeness -0.51

Activity Summary

IC50 2 meas. best 10.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RS4-11
CHEMBL2366159
 IC50 10.29 10.29 0.1 1
MOLM-13
CHEMBL3706572
 IC50 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RS4-11 IC50 = 0.051 nM 10.29 Cytotoxicity against human RS4:11 cells assessed as cell growth inhibition after... 28339196
MOLM-13 IC50 = 2.2 nM 8.66 Cytotoxicity against human MOLM13 cells assessed as cell growth inhibition after... 28339196

Literature References

PubMed DOI Target Context # Activities
28339196 10.1021/acs.jmedchem.6b01816 ADMET 13
28339196 10.1021/acs.jmedchem.6b01816 Mus musculus 7
28339196 10.1021/acs.jmedchem.6b01816 Protein cereblon/Cullin-4A/Bromodomain-containing protein 2 6
28339196 10.1021/acs.jmedchem.6b01816 Protein cereblon/Cullin-4A/Bromodomain-containing protein 3 6
28339196 10.1021/acs.jmedchem.6b01816 Protein cereblon/Cullin-4A/Bromodomain-containing protein 4 6
28339196 10.1021/acs.jmedchem.6b01816 RS4-11 4
28339196 10.1021/acs.jmedchem.6b01816 MOLM-13 3
38466231 10.1021/acs.jmedchem.3c02371 Unchecked 3
28339196 10.1021/acs.jmedchem.6b01816 Unchecked 1
38466231 10.1021/acs.jmedchem.3c02371 Protein cereblon/Bromodomain-containing protein 2 1
38466231 10.1021/acs.jmedchem.3c02371 Protein cereblon/Bromodomain-containing protein 3 1
38466231 10.1021/acs.jmedchem.3c02371 Protein cereblon/Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine