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Compound Detail

CHEMBL6018121

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O=C(O)CNC(=O)c1ncc(C#CCNc2ccc(Cl)cc2)cc1O

Basic Information

ChEMBL ID CHEMBL6018121
Phase Preclinical
Structure Type MOL
InChI Key ZAYZHFCHSLJSSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
1.72
ALogP
5
HBA
4
HBD
111.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClN3O4
MW 359.77
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 290.0 nM 6.54 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine