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Compound Detail

CHEMBL18528

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CCOC(=O)/C(C#N)=C/c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18528
Phase Preclinical
Structure Type MOL
InChI Key BAMBDOQUPBTCIJ-GHRIWEEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.96
ALogP
7
HBA
0
HBD
81.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O4S
MW 420.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
8164261 10.1021/jm00034a017 Oryctolagus cuniculus 1
8164261 10.1021/jm00034a017 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine