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Compound Detail

CHEMBL445624

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CC(=O)N(Cc1ccccc1)CC1NCC(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445624
Phase Preclinical
Structure Type MOL
InChI Key JZPNSLZLCQQFBF-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
-0.27
ALogP
4
HBA
3
HBD
72.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20N2O3
MW 264.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.14

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11549453 10.1016/s0960-894x(01)00477-2 Beta-galactosidase 4
11549453 10.1016/s0960-894x(01)00477-2 Unchecked 3
11549453 10.1016/s0960-894x(01)00477-2 Beta-glucosidase 3
11549453 10.1016/s0960-894x(01)00477-2 Alpha-mannosidase 2
11549453 10.1016/s0960-894x(01)00477-2 Alpha-glucosidase 1
11549453 10.1016/s0960-894x(01)00477-2 Glucoamylase 1
11549453 10.1016/s0960-894x(01)00477-2 Glucoamylase 1 1
11549453 10.1016/s0960-894x(01)00477-2 Beta-glucosidase A 1

Data from ChEMBL 36 via Core Engine