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Compound Detail

CHEMBL5995837

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CC(=O)Nc1ncc(CN2CC/C(=C/c3ccccc3)C[C@@H]2C)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5995837
Phase Preclinical
Structure Type MOL
InChI Key NYTHVWFLFSGZKC-FMNVXAMXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.5
MW (Da)
4.17
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3OS
MW 341.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.29

Activity Summary

Ki 1 meas. best 8.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 8.98 8.98 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 1.04 nM 8.98 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -

Data from ChEMBL 36 via Core Engine