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Compound Detail

CHEMBL5095179

EZURPIMTROSTAT
🧪 Phase II
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🧪 Phase II
CC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL5095179
Name EZURPIMTROSTAT
Phase Phase II
Structure Type MOL
InChI Key QVXSJSXAVQJXOV-UHFFFAOYSA-N

Known Names

Ezurpimtrostat Gns 561 GNS-561 GNS561
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
4
Known Names
4
Indications

Molecular Properties

423.0
MW (Da)
5.86
ALogP
4
HBA
2
HBD
40.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -stat

Extended Properties

Molecular Formula C25H31ClN4
MW 423.00
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.29

Indications

Carcinoma, Hepatocellular Severe Acute Respiratory Syndrome Cholangiocarcinoma Liver Neoplasms

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
LN-18
CHEMBL4296458
IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
LN-18 IC50 = 220.0 nM 6.66 Antitumor activity against human LN-18 cells assessed as reduction in cell growt... 38621327

Literature References

PubMed DOI Target Context # Activities
38621327 10.1016/j.ejmech.2024.116408 LN-18 1

Data from ChEMBL 36 via Core Engine