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Compound Detail

CHEMBL2346956

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Cl.N#Cc1cccc(/C=N/NC(=N)N)c1

Basic Information

ChEMBL ID CHEMBL2346956
Phase Preclinical
Structure Type MOL
InChI Key UOLWGBGQVKXROG-AWFSDRIXSA-N
Parent Compound CHEMBL2365803
Active Moiety CHEMBL2365803
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
0.38
ALogP
3
HBA
3
HBD
98.0
PSA (Ų)
0.35
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 C9H10ClN5
MW 223.67
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
IC50 4.36 4.36 43651.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate [NMDA] receptor IC50 = 43651.58 nM 4.36 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