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Compound Detail

CHEMBL3674552

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CCC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3674552
Phase Preclinical
Structure Type MOL
InChI Key BKPURHJUWXQFNS-BHGWPJFGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.21
ALogP
8
HBA
1
HBD
110.8
PSA (Ų)
0.41
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 C19H17FN8O
MW 392.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 9.0 nM 8.05 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase... -

Data from ChEMBL 36 via Core Engine