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Compound Detail

CHEMBL5929333

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N#Cc1ccccc1C#Cc1cnc(C(=O)NCC(=O)O)c(O)c1

Basic Information

ChEMBL ID CHEMBL5929333
Phase Preclinical
Structure Type MOL
InChI Key AAOHVHOFDAALIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
0.87
ALogP
5
HBA
3
HBD
123.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3O4
MW 321.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.63 6.63 234.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 234.0 nM 6.63 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine