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Compound Detail

CHEMBL5867665

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O=C(O)CNC(=O)c1ncc(C#CCOc2cccc(Cl)c2Cl)cc1O

Basic Information

ChEMBL ID CHEMBL5867665
Phase Preclinical
Structure Type MOL
InChI Key NASRBRCYEUBPDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.2
MW (Da)
2.34
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12Cl2N2O5
MW 395.20
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 6.28 6.28 527.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 527.0 nM 6.28 EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi... -

Data from ChEMBL 36 via Core Engine