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Compound Detail

CHEMBL1783452

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CNCC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1

Basic Information

ChEMBL ID CHEMBL1783452
Phase Preclinical
Structure Type MOL
InChI Key UZWYTWLBCCZCKK-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.30
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.92
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 C19H23NO2
MW 297.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.56

Activity Summary

Ki 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.16 5.16 6870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 6870.0 nM 5.16 Displacement of [3H]-(+)-MK801 from NMDA receptor PCP binding site in pig cortex... 21444132

Literature References

PubMed DOI Target Context # Activities
21444132 10.1016/j.ejmech.2011.02.070 Unchecked 2
21444132 10.1016/j.ejmech.2011.02.070 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine