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Compound Detail

CHEMBL283753

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Oc1nc2ccc(C#CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1

Basic Information

ChEMBL ID CHEMBL283753
Phase Preclinical
Structure Type MOL
InChI Key NEZKTKYSEMYPIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN2O2
MW 364.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor; Grin1/Grin2b
CHEMBL2096666
IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14980668 10.1016/j.bmcl.2003.12.049 Rattus norvegicus 2
14980668 10.1016/j.bmcl.2003.12.049 Glutamate NMDA receptor; Grin1/Grin2b 1

Data from ChEMBL 36 via Core Engine