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Compound Detail

CHEMBL355307

PHENOSAFRANINE
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Nc1ccc2nc3ccc(N)cc3[n+](-c3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL355307
Name PHENOSAFRANINE
Phase Preclinical
Structure Type MOL
InChI Key GCJIBOGVEKFXNS-UHFFFAOYSA-O
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.83
ALogP
3
HBA
2
HBD
68.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N4+
MW 287.35
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.37

Activity Summary

IC50 2 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.57 5.465 2700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80097-9 Glutamate NMDA receptor 4
- 10.1016/S0960-894X(00)80097-9 Unchecked 1

Data from ChEMBL 36 via Core Engine