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Compound Detail

CHEMBL5775827

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Cc1csc2nc(C(C)Nc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12

Basic Information

ChEMBL ID CHEMBL5775827
Phase Preclinical
Structure Type MOL
InChI Key RSIWALKZYXPAGW-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
3.71
ALogP
8
HBA
2
HBD
100.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16FN7OS
MW 421.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.42

Activity Summary

IC50 3 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.12 6.12 750.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine