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Compound Detail

CHEMBL607705

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O=C1Nc2c(ccc3c2CCCC3)/C1=N/O

Basic Information

ChEMBL ID CHEMBL607705
Phase Preclinical
Structure Type MOL
InChI Key RCIUBHVLMMFEBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.70
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O2
MW 216.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 5.14 5.14 7200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA IC50 = 7200.0 nM 5.14 Binding affinity against AMPA receptor using [3H]- AMPA radioligand -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00239-4 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(00)80101-8 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(00)80101-8 Glutamate receptor ionotropic, kainate 1
- 10.1016/S0960-894X(00)80101-8 Mus musculus 1

Data from ChEMBL 36 via Core Engine