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Compound Detail

CHEMBL15543

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N[C@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL15543
Phase Preclinical
Structure Type MOL
InChI Key IOHMHOLSWMBGPD-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.26
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO3
MW 285.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 100000.0 nM 4.0 Ability to displace [3H]L-689560 from NMDA receptor glycine site in rat brain me... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00187-4 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine