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Compound Detail

CHEMBL1289925

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CNC(=O)c1csc2cc(Oc3ccnc4cc(C5=NCCN5C)sc34)ccc12

Basic Information

ChEMBL ID CHEMBL1289925
Phase Preclinical
Structure Type MOL
InChI Key CDHZKYJMFPYMBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.35
ALogP
7
HBA
1
HBD
66.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O2S2
MW 422.54
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 9.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 9.47 9.47 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20869793 10.1016/j.ejmech.2010.09.002 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine