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Compound Detail

CHEMBL5978885

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CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CF)cc3)CC2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5978885
Phase Preclinical
Structure Type MOL
InChI Key PHUIBOICCYRVGV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.25
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FN3OS
MW 359.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.46

Activity Summary

Ki 2 meas. best 10.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 10.12 9.95 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.075 nM 10.12 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -
Protein O-GlcNAcase Ki = 0.167 nM 9.78 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -

Data from ChEMBL 36 via Core Engine