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Compound Detail

CHEMBL5752657

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CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(F)nc3)C[C@@H]2C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5752657
Phase Preclinical
Structure Type MOL
InChI Key PQNPJEFINNNRGY-LBPRGKRZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.70
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21FN4OS
MW 360.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.49

Activity Summary

Ki 2 meas. best 9.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 9.41 8.67 0.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.389 nM 9.41 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -
Protein O-GlcNAcase Ki = 11.8 nM 7.93 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -

Data from ChEMBL 36 via Core Engine