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Compound Detail

CHEMBL381300

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O=C(Nc1ccc(Cl)cc1)c1scnc1CCc1ccc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381300
Phase Preclinical
Structure Type MOL
InChI Key CVCPCRLEQDZTSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.9
MW (Da)
5.38
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN3OS
MW 393.90
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 2 2
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine