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Compound Detail

CHEMBL511923

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O=c1c2ccccc2oc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)cc(O)c12

Basic Information

ChEMBL ID CHEMBL511923
Phase Preclinical
Structure Type MOL
InChI Key WQRZYYVUELXYCN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.9
MW (Da)
4.90
ALogP
6
HBA
1
HBD
66.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25ClN2O4
MW 464.95
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.21 4.21 61800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 61800.0 nM 4.21 Inhibition of yeast alpha glucosidase in phosphate buffer after 0.5 hrs by spect... 18632275

Literature References

PubMed DOI Target Context # Activities
18632275 10.1016/j.bmc.2008.06.043 Unchecked 2

Data from ChEMBL 36 via Core Engine