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Compound Detail

CHEMBL403349

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O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1csc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403349
Phase Preclinical
Structure Type MOL
InChI Key DOTCCWQEUGMOIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
7.08
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19N3O2S
MW 437.52
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
17869515 10.1016/j.bmcl.2007.07.077 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine