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Compound Detail

CHEMBL26985

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CCCC[C@]1(c2ccccc2)OC[C@H]([C@@H]2CCCCN2)O1

Basic Information

ChEMBL ID CHEMBL26985
Phase Preclinical
Structure Type MOL
InChI Key QXJLJTMEWKPCIU-KSZLIROESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
3.59
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.90
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 C18H27NO2
MW 289.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.89

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 200.0 nM 6.7 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