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Compound Detail

CHEMBL3920254

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COc1cc2c(Nc3ccc4occc4c3)ncnc2cc1OCCCCCCC(=O)NO

Basic Information

ChEMBL ID CHEMBL3920254
Phase Preclinical
Structure Type MOL
InChI Key MHNMJCPZRQMSAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
4.96
ALogP
8
HBA
3
HBD
118.7
PSA (Ų)
0.17
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N4O5
MW 450.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine