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Compound Detail

CHEMBL3897857

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C/C(=N\n1cc(O)[nH]c1=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3897857
Phase Preclinical
Structure Type MOL
InChI Key MLRGGSSDNYDYCM-BRJLIKDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
1.73
ALogP
9
HBA
2
HBD
126.3
PSA (Ų)
0.44
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 C20H16N8O2
MW 400.40
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 4.0 nM 8.4 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase... -

Data from ChEMBL 36 via Core Engine