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

CHEMBL6022567

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
Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccncc1Cl

Basic Information

ChEMBL ID CHEMBL6022567
Phase Preclinical
Structure Type MOL
InChI Key DCZNCHYRZFTNTK-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
3.36
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23ClN6S
MW 390.94
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 11
CHEMBL3864
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine