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Compound Detail

CHEMBL4870118

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CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1Cc1cc(F)cc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4870118
Phase Preclinical
Structure Type MOL
InChI Key AVCLYDGYOCAABM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
4.33
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N4O
MW 400.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 350.0 nM 6.46 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