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Compound Detail

CHEMBL115480

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O=c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)ccn1CCCN1CCCCC1

Basic Information

ChEMBL ID CHEMBL115480
Phase Preclinical
Structure Type MOL
InChI Key VSTRRFWOIASKIN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
4.10
ALogP
6
HBA
0
HBD
55.4
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 C25H27N5O
MW 413.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.50

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.85 7.85 14.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12443771 10.1016/s0960-894x(02)00827-2 Vascular endothelial growth factor receptor 2 1
12443771 10.1016/s0960-894x(02)00827-2 Vascular endothelial growth factor receptor 1
12443771 10.1016/s0960-894x(02)00827-2 No relevant target 1

Data from ChEMBL 36 via Core Engine