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Compound Detail

CHEMBL5560535

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Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560535
Phase Preclinical
Structure Type MOL
InChI Key RSHJUKZSHUQUOT-RGVLZGJSSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.32
ALogP
4
HBA
2
HBD
74.6
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 C19H17N3O2
MW 319.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.43

Activity Summary

IC50 4 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
OCI-AML2
CHEMBL2366220
 IC50 4.77 4.77 17150.0 1
U-266
CHEMBL2366315
 IC50 4.75 4.75 17670.0 1
K562
CHEMBL385
 IC50 4.71 4.71 19440.0 1
U-937
CHEMBL612794
 IC50 4.65 4.65 22590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
OCI-AML2 IC50 = 17150.0 nM 4.77 Antiproliferative activity against human OCI-AML2 cells incubated for 48 hrs by ... 38795517
U-266 IC50 = 17670.0 nM 4.75 Antiproliferative activity against human U-266 cells incubated for 48 hrs by MTS... 38795517
K562 IC50 = 19440.0 nM 4.71 Antiproliferative activity against human K562 cells incubated for 48 hrs by MTS ... 38795517
U-937 IC50 = 22590.0 nM 4.65 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 Unchecked 6
38795517 10.1016/j.ejmech.2024.116524 Eukaryotic peptide chain release factor GTP-binding subunit ERF3A 2
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