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Compound Detail

CHEMBL3674546

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C/C(=N\NC(N)=O)c1ccc2ncc(C(C)c3ccc4c(cnn4C)c3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3674546
Phase Preclinical
Structure Type MOL
InChI Key BYKXIUSYSBDUTB-FSJBWODESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
2.16
ALogP
7
HBA
2
HBD
115.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N8O
MW 376.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 17.0 nM 7.77 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase... -

Data from ChEMBL 36 via Core Engine