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Compound Detail

CHEMBL5900572

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CC(=O)Nc1ncc(CN2CCC(=Cc3cccc(O)c3)CC2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5900572
Phase Preclinical
Structure Type MOL
InChI Key ONUYDVAIYAOGHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.49
ALogP
5
HBA
2
HBD
65.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O2S
MW 343.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.25

Activity Summary

Ki 1 meas. best 8.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein O-GlcNAcase
CHEMBL5921
 Ki 8.95 8.95 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein O-GlcNAcase Ki = 1.13 nM 8.95 Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity : Ex... -

Data from ChEMBL 36 via Core Engine