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Compound Detail

CHEMBL5933872

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Cn1cc(F)cc([C@H]2C[C@H](F)CN2c2ccn3ncc(C#N)c3n2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5933872
Phase Preclinical
Structure Type MOL
InChI Key XVXFZZMJEOJTPY-GXTWGEPZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
1.73
ALogP
7
HBA
0
HBD
79.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F2N6O
MW 356.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 7.26 6.89 55.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 Enzyme Assay: In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 e... -
High affinity nerve growth factor receptor IC50 = 300.0 nM 6.52 NTRK1 Wild Type Assay at 1 mM ATP: In each well of a 384-well plate, 1 nM-1.5 nM... -

Data from ChEMBL 36 via Core Engine