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Compound Detail

CHEMBL394638

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COc1cc(-c2cnc(N)c3c(-c4ccc(S(C)(=O)=O)cc4)csc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394638
Phase Preclinical
Structure Type MOL
InChI Key OYKMTHZXLTUMTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
4.64
ALogP
8
HBA
1
HBD
100.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O5S2
MW 470.57
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.63

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