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Compound Detail

CHEMBL280308

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

Basic Information

ChEMBL ID CHEMBL280308
Phase Preclinical
Structure Type MOL
InChI Key ZCBXREFRLNYWFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
4.47
ALogP
6
HBA
1
HBD
60.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O3S2
MW 414.55
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
8164261 10.1021/jm00034a017 Oryctolagus cuniculus 2
8164261 10.1021/jm00034a017 Cavia porcellus 2
8164261 10.1021/jm00034a017 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine