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Compound Detail

CHEMBL265191

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CC(C)c1c(OC[C@@H](C)O)cn2ncnc(Nc3cnc4[nH]ccc4c3)c12

Basic Information

ChEMBL ID CHEMBL265191
Phase Preclinical
Structure Type MOL
InChI Key UGDNQYIMJCMMJI-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.23
ALogP
7
HBA
3
HBD
100.4
PSA (Ų)
0.48
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 C19H22N6O2
MW 366.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.78 6.78 165.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 165.0 nM 6.78 Inhibition of human VEGFR2 18395443

Literature References

PubMed DOI Target Context # Activities
18395443 10.1016/j.bmcl.2008.03.057 Vascular endothelial growth factor receptor 2 1
18395443 10.1016/j.bmcl.2008.03.057 Mus musculus 1

Data from ChEMBL 36 via Core Engine