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Compound Detail

CHEMBL5876561

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COC(=O)CNC(=O)c1ncc(-c2cccc(C#N)c2)cc1O

Basic Information

ChEMBL ID CHEMBL5876561
Phase Preclinical
Structure Type MOL
InChI Key AHTBIZZHFITLNF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.23
ALogP
6
HBA
2
HBD
112.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O4
MW 311.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 5.29 5.29 5100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine