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Compound Detail

CHEMBL2346949

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Cl.N=C(N)N/N=C/c1cccc(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2346949
Phase Preclinical
Structure Type MOL
InChI Key VMPGKZXLFSKIBQ-NKPNRJPBSA-N
Parent Compound CHEMBL2365781
Active Moiety CHEMBL2365781
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
0.09
ALogP
3
HBA
4
HBD
100.3
PSA (Ų)
0.22
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 C8H12ClN5
MW 213.67
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.32

Activity Summary

IC50 1 meas.

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