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Compound Detail

CHEMBL5909240

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CNC(=O)c1ccccc1Sc1ccc2c(C#Cc3cccc(NCCOCCOCCOC)c3)n[nH]c2c1

Basic Information

ChEMBL ID CHEMBL5909240
Phase Preclinical
Structure Type MOL
InChI Key JXZMSPDDBRLHKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
4.57
ALogP
7
HBA
3
HBD
97.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32N4O4S
MW 544.68
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine