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Compound Detail

CHEMBL230520

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COc1cc2ncnc(Nc3ccc(C)cc3C)c2cc1OC

Basic Information

ChEMBL ID CHEMBL230520
Phase Preclinical
Structure Type MOL
InChI Key ANBPMJPMSHSIPA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.01
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O2
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 2900.0 nM 5.54 Inhibition of KDR 17306530

Literature References

PubMed DOI Target Context # Activities
17306530 10.1016/j.bmcl.2007.01.089 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine