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Compound Detail

CHEMBL4861471

ECLITASERTIB
🧪 Phase II
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🧪 Phase II
CN1C(=O)[C@@H](NC(=O)c2nc(Cc3ccccc3)n[nH]2)COc2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4861471
Name ECLITASERTIB
Phase Phase II
Structure Type MOL
InChI Key XUZICJHIIJCKQQ-ZDUSSCGKSA-N

Known Names

DNL-758 DNL758 Eclitasertib SAR-443122 SAR443122
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
5
Known Names
4
Indications

Molecular Properties

378.4
MW (Da)
0.94
ALogP
6
HBA
2
HBD
113.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -sertib
USAN Year 2021

Extended Properties

Molecular Formula C19H18N6O3
MW 378.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.87

Indications

Colitis, Ulcerative Lupus Erythematosus, Cutaneous COVID-19 Severe Acute Respiratory Syndrome

Activity Summary

IC50 5 meas. best 7.43
EC50 1 meas. best 7.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
 EC50 7.81 7.81 15.4 1
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
 IC50 7.43 6.526 37.5 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-29 EC50 = 15.4 nM 7.81 Anti-necroptotic activity in human HT-29 cells assessed as inhibition of hTNFalp... 33930803
Receptor-interacting serine/threonine-protein kinase 1 IC50 = 37.5 nM 7.43 Kinase Inhibition Assay: In this example, compounds of the disclosure were evalu... -
Receptor-interacting serine/threonine-protein kinase 1 IC50 = 500.0 nM 6.3 Fluorescent Polarization Binding (FP Binding) assay: Assay was performed in poly... -
Receptor-interacting serine/threonine-protein kinase 1 IC50 = 500.0 nM 6.3 Fluorescent Polarization Binding (FP Binding) assay: Assay was performed in poly... -
Receptor-interacting serine/threonine-protein kinase 1 IC50 = 500.0 nM 6.3 Fluorescent Polarization Binding (FP Binding) assay: Test compounds were diluted... -
Receptor-interacting serine/threonine-protein kinase 1 IC50 = 500.0 nM 6.3 Fluorescent Polarization Binding (FP Binding) assay: Test compounds were diluted... -

Literature References

PubMed DOI Target Context # Activities
33930803 10.1016/j.ejmech.2021.113484 HT-29 2

Data from ChEMBL 36 via Core Engine