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Compound Detail

CHEMBL4858764

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CN(C)c1cccc(C(=O)Nc2n[nH]c3c2CN(Cc2cc(F)cc(F)c2)C3(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858764
Phase Preclinical
Structure Type MOL
InChI Key TVESTZRUNOZLGT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
4.26
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25F2N5O
MW 425.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 270.0 nM 6.57 Inhibition of N-terminal GST-tagged human TRKA (436 to 790 residues) expressed i... 34171657

Literature References

PubMed DOI Target Context # Activities
34171657 10.1016/j.ejmech.2021.113627 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine