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Compound Detail

CHEMBL135575

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O=C(O)C1CCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL135575
Phase Preclinical
Structure Type MOL
InChI Key GBPQPFSMMPFWDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.90
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.71
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 C21H23Cl2NO3
MW 408.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.77

Literature References

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

Data from ChEMBL 36 via Core Engine