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Compound Detail

CHEMBL350615

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N=C(NCc1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL350615
Phase Preclinical
Structure Type MOL
InChI Key QZARWWZWTPDHPY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
2.80
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2
MW 210.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.59

Activity Summary

Ki 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
Ki 5.0 5.0 10000.0 1
Glutamate NMDA receptor; GRIN1/GRIN2B
CHEMBL1907603
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12639560 10.1016/s0960-894x(02)01060-0 Glutamate NMDA receptor; GRIN1/GRIN2B 1
12639561 10.1016/s0960-894x(02)01061-2 Glutamate receptor ionotropic, NMDA 2B 1
24412068 10.1016/j.bmcl.2013.12.087 Glutamate receptor ionotropic, NMDA 2B 1

Data from ChEMBL 36 via Core Engine