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Compound Detail

CHEMBL16944

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O=C(O)[C@@H]1C[C@H]2C[C@@H](c3ccccc3-c3nn[nH]n3)CC[C@H]2CN1

Basic Information

ChEMBL ID CHEMBL16944
Phase Preclinical
Structure Type MOL
InChI Key PHLGBICBLKKAEE-OHTBPHCPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
1.81
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.79
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 C17H21N5O2
MW 327.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 6400.0 nM 5.19 Inhibition of [3H]-CGS-19,755 binding to NMDA receptor of rat brain membranes. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00185-6 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(97)00185-6 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine