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Compound Detail

CHEMBL25403

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c1cc(C2=NCCN2)ccc1OC[C@@H]1C[C@H]1COc1ccc(C2=NCCN2)cc1

Basic Information

ChEMBL ID CHEMBL25403
Phase Preclinical
Structure Type MOL
InChI Key QBRHZYXVXTUXBM-OALUTQOASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
2.48
ALogP
6
HBA
2
HBD
67.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O2
MW 390.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 4.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.78 4.78 16500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 16500.0 nM 4.78 Inhibition of [3H]dizocilpine binding to N-methyl-D-aspartate (NMDA) receptor co... 10340618

Literature References

PubMed DOI Target Context # Activities
10340618 10.1016/s0960-894x(99)00184-5 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine