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Compound Detail

CHEMBL1289705

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CCN1CCN(Cc2ccc(-c3cc4c([C@](C)(N)c5ccccc5)ncnc4[nH]3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL1289705
Phase Preclinical
Structure Type MOL
InChI Key PPIPOUYCZVENKK-HHHXNRCGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.98
ALogP
5
HBA
2
HBD
74.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N6
MW 440.60
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.11 7.11 77.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20869793 10.1016/j.ejmech.2010.09.002 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine