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Compound Detail

CHEMBL350614

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N=C(/C=C/c1ccccc1)NCc1cccc(Cl)c1Cl

Basic Information

ChEMBL ID CHEMBL350614
Phase Preclinical
Structure Type MOL
InChI Key NJOJLSWUQNMZBT-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
4.77
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N2
MW 305.21
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.74

Activity Summary

Ki 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor; GRIN1/GRIN2B
CHEMBL1907603
Ki 8.44 8.44 3.6 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

Data from ChEMBL 36 via Core Engine