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Compound Detail

CHEMBL5574218

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

Basic Information

ChEMBL ID CHEMBL5574218
Phase Preclinical
Structure Type MOL
InChI Key XCSAWJPODQMRTL-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
0.94
ALogP
8
HBA
4
HBD
144.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6O3
MW 364.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 4.95
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 4.95 4.95 11200.0 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

Data from ChEMBL 36 via Core Engine