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Compound Detail

CHEMBL3417459

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CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3ccccc3)ccc2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417459
Phase Preclinical
Structure Type MOL
InChI Key MMLZMOJJDMGVME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.93
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O3
MW 435.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 360.0 nM 6.44 Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substra... 25827399

Literature References

PubMed DOI Target Context # Activities
25827399 10.1016/j.ejmech.2015.03.041 NON-PROTEIN TARGET 2
25827399 10.1016/j.ejmech.2015.03.041 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine