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Compound Detail

CHEMBL5977772

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

Basic Information

ChEMBL ID CHEMBL5977772
Phase Preclinical
Structure Type MOL
InChI Key REZYKLXMBUMDHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
4.53
ALogP
5
HBA
3
HBD
79.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24N4O2S
MW 456.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine