Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5819527

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1C(=N)N[C@](C)(c2cccc(Nc3cccc4c3OC(F)(F)O4)n2)CS1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5819527
Phase Preclinical
Structure Type MOL
InChI Key NCKFQUFSLHNICZ-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
2.16
ALogP
7
HBA
3
HBD
116.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F2N5O4S
MW 425.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.83

Activity Summary

Ki 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-secretase 1
CHEMBL4822
 Ki 5.33 5.33 4695.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-secretase 1 Ki = 4695.0 nM 5.33 BACE-1 Ki Assay (BACE-1 HTRF FRET Assay): The following reagents were used in th... -

Data from ChEMBL 36 via Core Engine