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Compound Detail

CHEMBL5402983

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C[C@@H](N)Cn1ccc2cc(OCc3ccc(F)cc3)ccc21

Basic Information

ChEMBL ID CHEMBL5402983
Phase Preclinical
Structure Type MOL
InChI Key NLQKWRCLHUWSOD-CYBMUJFWSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.71
ALogP
3
HBA
1
HBD
40.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19FN2O
MW 298.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.20

Activity Summary

EC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cortical neurone
CHEMBL5314313
EC50 8.0 8.0 10.0 1
Cortical neurone
CHEMBL613841
EC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37736170 10.1021/acsmedchemlett.3c00309 Cortical neurone 3

Data from ChEMBL 36 via Core Engine