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Compound Detail

CHEMBL3685816

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CSc1ccnc(Nc2cc(C)cc(-c3cnc(C4(O)CCC4)s3)c2)n1

Basic Information

ChEMBL ID CHEMBL3685816
Phase Preclinical
Structure Type MOL
InChI Key QHSLFXKVGTXZMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
4.75
ALogP
7
HBA
2
HBD
70.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4OS2
MW 384.53
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 24.0 nM 7.62 Homogeneous Time-Resolved Fluorescence (HTRF) Assay : A recombinant GST-hSYK fus... -

Data from ChEMBL 36 via Core Engine