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Compound Detail

CHEMBL3674533

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C/C(=N\NS(C)(=O)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3674533
Phase Preclinical
Structure Type MOL
InChI Key HGQOSSDYXVDGBK-SRZZPIQSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
1.09
ALogP
9
HBA
1
HBD
127.9
PSA (Ų)
0.39
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 C17H16N8O2S
MW 396.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 14.0 nM 7.85 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase... -

Data from ChEMBL 36 via Core Engine