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Compound Detail

CHEMBL5886819

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CNC(=O)c1ccccc1Sc1ccc2c(C#Cc3ccc(NCCOCCOC)cc3)n[nH]c2c1

Basic Information

ChEMBL ID CHEMBL5886819
Phase Preclinical
Structure Type MOL
InChI Key NQIRVVDMPRFORK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
4.55
ALogP
6
HBA
3
HBD
88.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N4O3S
MW 500.62
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.43 8.43 3.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine