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Compound Detail

CHEMBL122551

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Nc1cccc2c1C1CNC2C2CCCC12

Basic Information

ChEMBL ID CHEMBL122551
Phase Preclinical
Structure Type MOL
InChI Key VNZKKMGMOWIIAK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.43
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.65
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 C14H18N2
MW 214.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.73

Activity Summary

Ki 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 14.0 nM 7.85 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