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Compound Detail

CHEMBL5933891

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CN1CCCOc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C1=O

Basic Information

ChEMBL ID CHEMBL5933891
Phase Preclinical
Structure Type MOL
InChI Key GVLSAAKRDQWBDZ-MRXNPFEDSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
2.46
ALogP
7
HBA
0
HBD
75.9
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 C20H21FN6O2
MW 396.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.09

Activity Summary

IC50 6 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 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine