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Compound Detail

CHEMBL307988

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Cc1cccc(C2(N3CC=CCC3)CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL307988
Phase Preclinical
Structure Type MOL
InChI Key MRINYGXKMYUSDQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.4
MW (Da)
4.42
ALogP
1
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 C18H25N
MW 255.40
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.15

Activity Summary

Ki 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 7.09 7.09 81.0 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