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Compound Detail

CHEMBL5784634

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CCCS(=O)(=O)Nc1ccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)cc1F

Basic Information

ChEMBL ID CHEMBL5784634
Phase Preclinical
Structure Type MOL
InChI Key DSIXTCVLEFHZIE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.72
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F2N4O2S
MW 428.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.58

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