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Compound Detail

CHEMBL5403006

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COc1ccc(F)cc1CNc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403006
Phase Preclinical
Structure Type MOL
InChI Key LTWAXJLWLJHTPV-WQRHYEAKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
4.27
ALogP
3
HBA
3
HBD
66.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN3O2
MW 363.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 7.47 6.99 34.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 34.0 nM 7.47 Inhibition of N-terminal GST-tagged human recombinant wild type TRKA (440 to end... 37030091
High affinity nerve growth factor receptor IC50 = 310.0 nM 6.51 Inhibition of N-terminal GST-tagged human recombinant TRKA G595R mutant (440 to ... 37030091

Literature References

PubMed DOI Target Context # Activities
37030091 10.1016/j.ejmech.2023.115291 High affinity nerve growth factor receptor 2

Data from ChEMBL 36 via Core Engine