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Compound Detail

CHEMBL245681

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COc1ccc(-c2nc(NC(=O)NCc3ccccc3)sc2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245681
Phase Preclinical
Structure Type MOL
InChI Key DWFUXEKVJPLXHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
5.82
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O3S
MW 445.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
17462892 10.1016/j.bmcl.2007.04.017 Unchecked 1

Data from ChEMBL 36 via Core Engine