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Compound Detail

CHEMBL123708

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Oc1cccc(C2(N3CCCCC3)CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL123708
Phase Preclinical
Structure Type MOL
InChI Key AMSXTZUCNOKUEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
4.04
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NO
MW 259.39
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.37

Activity Summary

Ki 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 38.0 nM 7.42 Binding affinity against PCP site of the NMDA Receptor using [3H]TCP radioligand -

Literature References

PubMed DOI Target Context # Activities
6279847 10.1021/jm00346a019 Glutamate receptor ionotropic, NMDA 2C 2
6279847 10.1021/jm00346a019 Muscarinic acetylcholine receptor 2
6279847 10.1021/jm00346a019 Opioid receptor 2
6279847 10.1021/jm00346a019 Mus musculus 1
- 10.1016/0960-894X(95)00038-U Unchecked 1

Data from ChEMBL 36 via Core Engine