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Compound Detail

CHEMBL5816807

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O=C(Nc1ccc(N2CCOCC2=O)cc1O)OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL5816807
Phase Preclinical
Structure Type MOL
InChI Key FFBHFFJDDLITSX-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.50
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O5
MW 342.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.34

Activity Summary

Ki 3 meas. best 9.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.33 9.33 0.5 1
Coagulation factor X
CHEMBL244
Ki 9.0 9.0 1.0 1
Coagulation factor X
CHEMBL3755
Ki 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine