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Compound Detail

CHEMBL247696

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COc1cc(-c2cnc(N)c3c(Br)csc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247696
Phase Preclinical
Structure Type MOL
InChI Key TWLCHRPTWCVAEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
4.33
ALogP
6
HBA
1
HBD
66.6
PSA (Ų)
0.71
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 C16H15BrN2O3S
MW 395.28
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
17027260 10.1016/j.bmcl.2006.09.050 Ephrin type-B receptor 4 1

Data from ChEMBL 36 via Core Engine