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Compound Detail

CHEMBL18636

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COc1ccc(-c2nc(/C=C/C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18636
Phase Preclinical
Structure Type MOL
InChI Key JUAWFERCJBNTLK-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.28
ALogP
6
HBA
0
HBD
54.9
PSA (Ų)
0.53
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 C25H27N3O3S
MW 449.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.87

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