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Compound Detail

CHEMBL345057

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Oc1ccc(N(CCF)CCF)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345057
Phase Preclinical
Structure Type MOL
InChI Key YEQWVVNWMTWOKD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
2.14
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13F2NO
MW 201.22
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.51

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 - hr -

Literature References

PubMed DOI Target Context # Activities
9857097 10.1021/jm980425k ADMET 1
9857097 10.1021/jm980425k NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine