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Compound Detail

CHEMBL6027001

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O=C1NCC(O)COc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc1c3n2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6027001
Phase Preclinical
Structure Type MOL
InChI Key JTLQSWMRBFBYEA-WPZCJLIBSA-N
1
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
1.09
ALogP
8
HBA
2
HBD
104.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FN6O3
MW 398.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.60

Activity Summary

IC50 12 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 7.26 55.0 12

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 TrkA Elisa Enzyme Assay: An enzyme-linked immunosorbant assay (ELISA) was used t... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 TrkA Binding Assay: The ability of a compound to bind to TrkA was measured by In... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 TrkA Elisa Enzyme Assay: An enzyme-linked immunosorbant assay (ELISA) was used t... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 TrkA Binding Assay: The ability of a compound to bind to TrkA was measured by In... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 ELISA Assay: An enzyme-linked immunosorbant assay (ELISA) was used to assess Trk... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 ELISA Assay: An enzyme-linked immunosorbant assay (ELISA) was used to assess Trk... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 ELISA Assay: An enzyme-linked immunosorbant assay (ELISA) was used to assess Trk... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 ELISA Assay: An enzyme-linked immunosorbant assay (ELISA) was used to assess Trk... -
High affinity nerve growth factor receptor IC50 = 55.0 nM 7.26 Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro... -

Data from ChEMBL 36 via Core Engine