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Compound Detail

CHEMBL125817

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C[C@H]1NC2c3cccc(N)c3C1C1CCCC21

Basic Information

ChEMBL ID CHEMBL125817
Phase Preclinical
Structure Type MOL
InChI Key FMBYQEIJDWNYNT-PFXXNGQLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
2.82
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2
MW 228.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.81

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 8.0 nM 8.1 Binding affinity against PCP site of the NMDA Receptor using [3H]TCP radioligand -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00038-U Unchecked 1

Data from ChEMBL 36 via Core Engine