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

CHEMBL5561572

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
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561572
Phase Preclinical
Structure Type MOL
InChI Key WUNCJECIDUJETI-SRZZPIQSSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

337.8
MW (Da)
4.27
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O
MW 337.81
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.03

Activity Summary

IC50 3 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
OCI-AML2
CHEMBL2366220
 IC50 5.58 5.58 2660.0 1
U-266
CHEMBL2366315
 IC50 5.41 5.41 3930.0 1
U-937
CHEMBL612794
 IC50 5.16 5.16 6890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
OCI-AML2 IC50 = 2660.0 nM 5.58 Antiproliferative activity against human OCI-AML2 cells incubated for 48 hrs by ... 38795517
U-266 IC50 = 3930.0 nM 5.41 Antiproliferative activity against human U-266 cells incubated for 48 hrs by MTS... 38795517
U-937 IC50 = 6890.0 nM 5.16 Antiproliferative activity against human U-937 cells incubated for 48 hrs by MTS... 38795517

Literature References

PubMed DOI Target Context # Activities
38795517 10.1016/j.ejmech.2024.116524 U-266 1
38795517 10.1016/j.ejmech.2024.116524 U-937 1
38795517 10.1016/j.ejmech.2024.116524 K562 1
38795517 10.1016/j.ejmech.2024.116524 OCI-AML2 1

Data from ChEMBL 36 via Core Engine