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Compound Detail

CHEMBL373435

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CC(=O)Nc1nn(C)c2cccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373435
Phase Preclinical
Structure Type MOL
InChI Key OHFKUABCVXNBNC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
5.15
ALogP
4
HBA
3
HBD
88.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O2
MW 413.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 12000.0 nM 4.92 Inhibition of KDR by HTRF assay 17343372

Literature References

PubMed DOI Target Context # Activities
17343372 10.1021/jm061280h Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine