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Compound Detail

CHEMBL69034

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CC(=O)Oc1cccc(C2(N3CC=CCC3)CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL69034
Phase Preclinical
Structure Type MOL
InChI Key QBNUMLXMFVITCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
4.03
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO2
MW 299.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.43

Activity Summary

Ki 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine