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Compound Detail

CHEMBL250482

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O=C(Nc1ccc(C2CCCCC2)cc1)c1cccnc1NCc1ccncc1

Basic Information

ChEMBL ID CHEMBL250482
Phase Preclinical
Structure Type MOL
InChI Key PTMYBOIMGWIWAR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
5.39
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O
MW 386.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 Ki = 2.0 nM 8.7 Inhibition of phosphorylated-Kdr after 30 mins 17869515

Literature References

PubMed DOI Target Context # Activities
17869515 10.1016/j.bmcl.2007.07.077 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine