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Compound Detail

CHEMBL394383

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

Basic Information

ChEMBL ID CHEMBL394383
Phase Preclinical
Structure Type MOL
InChI Key LMNFJUCPNXRSEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
5.44
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.41
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 C24H22N2O4S
MW 434.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.36

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