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Compound Detail

CHEMBL1807476

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O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1)c1cccc(N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807476
Phase Preclinical
Structure Type MOL
InChI Key GEYPTNPRIORDBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
3.97
ALogP
6
HBA
3
HBD
116.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N5O4S
MW 503.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.16

Literature References

PubMed DOI Target Context # Activities
21708468 10.1016/j.bmc.2011.06.016 Vascular endothelial growth factor receptor 2 1
21708468 10.1016/j.bmc.2011.06.016 Aurora kinase A 1
21708468 10.1016/j.bmc.2011.06.016 Receptor-type tyrosine-protein kinase FLT3 1
21708468 10.1016/j.bmc.2011.06.016 MOLM-13 1
21708468 10.1016/j.bmc.2011.06.016 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine