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Compound Detail

CHEMBL5773827

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COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3F)c2cc1OCCOC

Basic Information

ChEMBL ID CHEMBL5773827
Phase Preclinical
Structure Type MOL
InChI Key OLWUXMQAHAHWGM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.0
MW (Da)
4.94
ALogP
8
HBA
1
HBD
108.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25ClFN3O6S
MW 562.02
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.41

Activity Summary

Ki 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.3 6.3 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine