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Compound Detail

CHEMBL4857029

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CC1(C)c2[nH]nc(NC(=O)c3ccc4ncccc4c3)c2CN1Cc1cc(F)cc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4857029
Phase Preclinical
Structure Type MOL
InChI Key DEBYKTQMFZDTSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
4.74
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.49
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 C24H21F2N5O
MW 433.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 180.0 nM 6.75 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