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Compound Detail

CHEMBL341680

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O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341680
Phase Preclinical
Structure Type MOL
InChI Key UQFICAINGRVRPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.03
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.85
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 C21H23F3N2O
MW 376.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
11728186 10.1021/jm010384j Sigma non-opioid intracellular receptor 1 2
11728186 10.1021/jm010384j Sigma 2 receptor 1

Data from ChEMBL 36 via Core Engine