Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5085914

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@H]1NC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5085914
Phase Preclinical
Structure Type MOL
InChI Key GEOKFUUKVIUZBC-NXEZZACHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.11
ALogP
6
HBA
3
HBD
100.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN6O2
MW 368.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.07 6.07 846.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 846.0 nM 6.07 Inhibition of TrKA (unknown origin) incubated for 120 mins in presence of 33P-AT... 34253025

Literature References

PubMed DOI Target Context # Activities
34253025 10.1021/acs.jmedchem.1c00712 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine