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Compound Detail

CHEMBL307113

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C1=CCN(C2(c3cccs3)CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL307113
Phase Preclinical
Structure Type MOL
InChI Key NDTNWLZCHFUWIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

247.4
MW (Da)
4.17
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.71
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 C15H21NS
MW 247.41
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.25

Activity Summary

Ki 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2374147 10.1021/jm00170a027 Glutamate receptor ionotropic, NMDA 2C 1
2374147 10.1021/jm00170a027 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine