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Compound Detail

CHEMBL5982879

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

Basic Information

ChEMBL ID CHEMBL5982879
Phase Preclinical
Structure Type MOL
InChI Key NGFUKMAJVLDXCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
3.03
ALogP
6
HBA
1
HBD
82.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O3S2
MW 434.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.91

Activity Summary

Ki 1 meas. best 10.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 10.02 10.02 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 0.095 nM 10.02 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -

Data from ChEMBL 36 via Core Engine