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Compound Detail

CHEMBL219887

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Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C)c4[nH]nc(N)c34)cc2)c1

Basic Information

ChEMBL ID CHEMBL219887
Phase Preclinical
Structure Type MOL
InChI Key FPQYONGXMYWJCL-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
5.07
ALogP
3
HBA
4
HBD
95.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O
MW 371.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.21

Activity Summary

IC50 3 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.52 8.52 3.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17343372 10.1021/jm061280h Vascular endothelial growth factor receptor 2 1
17343372 10.1021/jm061280h Mast/stem cell growth factor receptor Kit 1
19892442 10.1016/j.ejmech.2009.09.013 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine