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Compound Detail

CHEMBL4745866

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O=C(O)CNC(=O)c1ncc(C#CC2CC2)cc1O

Basic Information

ChEMBL ID CHEMBL4745866
Phase Preclinical
Structure Type MOL
InChI Key AEYLHGBTQFPILZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
0.36
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O4
MW 260.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.35

Activity Summary

IC50 2 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.08 6.08 835.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32787144 10.1021/acs.jmedchem.0c01161 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine