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Compound Detail

CHEMBL5593667

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CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3S(C)(=O)=O)cc12

Basic Information

ChEMBL ID CHEMBL5593667
Phase Preclinical
Structure Type MOL
InChI Key XJQRVGQFRQTMFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
2.08
ALogP
5
HBA
3
HBD
104.0
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 C17H17FN4O3S
MW 376.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 5.95 5.95 1120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39033612 10.1016/j.ejmech.2024.116640 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine