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Compound Detail

CHEMBL554948

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Cl.O=C(O)C1CCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554948
Phase Preclinical
Structure Type MOL
InChI Key DRKLYZXEFACKHB-UHFFFAOYSA-N
Parent Compound CHEMBL1195593
Active Moiety CHEMBL1195593
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
4.51
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.75
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 C20H22Cl3NO3
MW 430.76
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
1433224 10.1021/jm00100a032 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine