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Compound Detail

CHEMBL542735

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Cl.O=C(CCCN1CCCC(C(=O)O)C1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542735
Phase Preclinical
Structure Type MOL
InChI Key YATQURQHWFGENW-UHFFFAOYSA-N
Parent Compound CHEMBL1191613
Active Moiety CHEMBL1191613
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.59
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.82
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 C16H21ClFNO3
MW 329.80
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.17

Literature References

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

Data from ChEMBL 36 via Core Engine