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Compound Detail

CHEMBL303197

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O=C(O)[C@@H]1C[C@H]2C[C@@H](NCc3nn[nH]n3)CC[C@H]2CN1

Basic Information

ChEMBL ID CHEMBL303197
Phase Preclinical
Structure Type MOL
InChI Key BCQLERBWDUHRTB-JXUBOQSCSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
-0.48
ALogP
6
HBA
4
HBD
115.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N6O2
MW 280.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.08

Activity Summary

IC50 3 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.94 4.71 11500.0 2
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.16 4.16 69300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8667365 10.1021/jm950912p Glutamate NMDA receptor 2
8667365 10.1021/jm950912p Glutamate receptor ionotropic, AMPA 2
8667365 10.1021/jm950912p Glutamate receptor ionotropic, kainate 2

Data from ChEMBL 36 via Core Engine