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Compound Detail

CHEMBL26735

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NC[C@H]1COC(c2ccccc2)(c2ccccc2)O1

Basic Information

ChEMBL ID CHEMBL26735
Phase Preclinical
Structure Type MOL
InChI Key BRMKTNXTLDWFFD-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.26
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.91
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 C16H17NO2
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.34

Activity Summary

Ki 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 1400.0 nM 5.85 Displacement of [3H]TCP from PCP receptor in tissue preparation of whole rat bra... 1349351

Literature References

PubMed DOI Target Context # Activities
1349351 10.1021/jm00086a001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine