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Compound Detail

CHEMBL467504

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N[C@@]1(c2ccccc2Cl)CCCCC1=O

Basic Information

ChEMBL ID CHEMBL467504
Phase Preclinical
Structure Type MOL
InChI Key BEQZHFIKTBVCAU-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.7
MW (Da)
2.64
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H14ClNO
MW 223.70
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.23

Activity Summary

Ki 1 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 4.26 4.26 55000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 55000.0 nM 4.26 Displacement of [3H]MK801 from NMDA receptor in rat brain neuronal membrane 19345586

Literature References

PubMed DOI Target Context # Activities
19345586 10.1016/j.bmc.2009.03.025 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine