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Compound Detail

CHEMBL97262

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CCCCCCCCCCCCCCCCCCOC1=C([O-])C(C(O)C[N+](C)(C)C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97262
Phase Preclinical
Structure Type MOL
InChI Key KOWFVXYQSLVSBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.7
MW (Da)
4.83
ALogP
5
HBA
1
HBD
78.8
PSA (Ų)
0.15
QED
0
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H51NO5
MW 469.71
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
7636848 10.1021/jm00015a010 Rattus norvegicus 1
7636848 10.1021/jm00015a010 ADMET 1

Data from ChEMBL 36 via Core Engine