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Compound Detail

CHEMBL2346935

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Cc1ccc(/C=N/NC(=N)N)c2ccccc12.Cl

Basic Information

ChEMBL ID CHEMBL2346935
Phase Preclinical
Structure Type MOL
InChI Key CWWDMFUACKCPIM-OHGISNTKSA-N
Parent Compound CHEMBL2365740
Active Moiety CHEMBL2365740
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
1.97
ALogP
2
HBA
3
HBD
74.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15ClN4
MW 262.74
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
IC50 4.94 4.94 11481.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate [NMDA] receptor IC50 = 11481.54 nM 4.94 Displacement of [3H]MK-801 from NMDA receptor complex (unknown origin) after 40 ... 23465801

Literature References

PubMed DOI Target Context # Activities
23465801 10.1016/j.bmc.2013.01.051 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine