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Compound Detail

CHEMBL190473

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Clc1cccc(Nc2cncc(-c3cncc(NCCCc4ccccc4)c3)n2)c1

Basic Information

ChEMBL ID CHEMBL190473
Phase Preclinical
Structure Type MOL
InChI Key NNTGNPPBTNKLPC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
5.98
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClN5
MW 415.93
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.42

Activity Summary

IC50 2 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.64 5.64 2277.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16033269 10.1021/jm058205b Vascular endothelial growth factor receptor 2 3
16033269 10.1021/jm058205b Unchecked 1

Data from ChEMBL 36 via Core Engine