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Compound Detail

CHEMBL5812745

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O=C1NC[C@@H](F)Cn2cc(F)cc(c2=O)[C@H]2CCCN2c2ccn3ncc1c3n2

Basic Information

ChEMBL ID CHEMBL5812745
Phase Preclinical
Structure Type MOL
InChI Key CGHFNIXGLSTXOA-IUODEOHRSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
1.45
ALogP
7
HBA
1
HBD
84.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F2N6O2
MW 400.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Activity Summary

IC50 3 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 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine