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Compound Detail

CHEMBL5399549

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C[C@H](Cn1ccc2cc(OCc3ccccc3)ccc21)N1CCCC1

Basic Information

ChEMBL ID CHEMBL5399549
Phase Preclinical
Structure Type MOL
InChI Key LFKXUURWUQGRKZ-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
4.70
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O
MW 334.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.18

Activity Summary

EC50 1 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

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cortical neurone EC50 = 10.0 nM 8.0 Induction of neurite outgrowth in Wistar rat Cortical neuron cells assessed as i... 37736170

Literature References

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

Data from ChEMBL 36 via Core Engine