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Compound Detail

CHEMBL5564592

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N#Cc1ccc(CNC(=O)c2ncc3nc(N4CCOCC4)ccc3c2O)cn1

Basic Information

ChEMBL ID CHEMBL5564592
Phase Preclinical
Structure Type MOL
InChI Key IWXVBKZPTGZPOA-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
1.37
ALogP
8
HBA
2
HBD
124.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6O3
MW 390.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 5.18
IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 8.7 8.7 2.0 1
Unchecked
CHEMBL612545
EC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38189253 10.1021/acs.jmedchem.3c01932 Egl nine homolog 1 1
38189253 10.1021/acs.jmedchem.3c01932 Unchecked 1
38189253 10.1021/acs.jmedchem.3c01932 No relevant target 1

Data from ChEMBL 36 via Core Engine