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Compound Detail

CHEMBL188536

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OCCCNc1cncc(-c2cncc(NCc3ccccc3)n2)c1

Basic Information

ChEMBL ID CHEMBL188536
Phase Preclinical
Structure Type MOL
InChI Key DTEFNUQVFFTDEE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.95
ALogP
6
HBA
3
HBD
83.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N5O
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

IC50 2 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.98 5.98 1047.1 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