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Compound Detail

CHEMBL5820053

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O=C(O)CNC(=O)c1ncc(C#CCOc2ccc(CF)o2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5820053
Phase Preclinical
Structure Type MOL
InChI Key VXPKZMKKHDAZRZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
1.09
ALogP
6
HBA
3
HBD
121.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN2O6
MW 348.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 6.4 6.4 402.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 402.0 nM 6.4 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine