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Compound Detail

CHEMBL341050

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CCC12CC3CC(N)(C1)CC(CC)(C3)C2

Basic Information

ChEMBL ID CHEMBL341050
Phase Preclinical
Structure Type MOL
InChI Key SUVNEFNZAWETBP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

207.4
MW (Da)
3.47
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.74
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 C14H25N
MW 207.36
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.46

Activity Summary

Ki 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
Ki 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7086822 10.1021/jm00343a010 Mus musculus 5
7086822 10.1021/jm00343a010 No relevant target 2
9464369 10.1021/jm9704412 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine