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Compound Detail

CHEMBL1277697

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F[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1

Basic Information

ChEMBL ID CHEMBL1277697
Phase Preclinical
Structure Type MOL
InChI Key OLGOYYOHTNZCEO-GBESFXJTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.39
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FNO2
MW 327.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.58

Activity Summary

Ki 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.12 8.12 7.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 7.5 nM 8.12 Displacement of [3H]-(+)-MK-801 from NMDA receptor phencyclidine binding site in... 20965735

Literature References

PubMed DOI Target Context # Activities
20965735 10.1016/j.bmc.2010.09.047 Unchecked 1

Data from ChEMBL 36 via Core Engine