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Compound Detail

CHEMBL5555801

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N#Cc1cccc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)c1

Basic Information

ChEMBL ID CHEMBL5555801
Phase Preclinical
Structure Type MOL
InChI Key ORFMYWBBOXNLOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.03
ALogP
4
HBA
3
HBD
110.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13N5O2
MW 355.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 7.02 7.02 95.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38636130 10.1016/j.ejmech.2024.116357 Serine/threonine-protein kinase tousled-like 2 1
38636130 10.1016/j.ejmech.2024.116357 Receptor-type tyrosine-protein kinase FLT3 1
38636130 10.1016/j.ejmech.2024.116357 NT-3 growth factor receptor 1

Data from ChEMBL 36 via Core Engine