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Compound Detail

CHEMBL5859939

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N#Cc1cnn2ccc(N3C[C@@H](C#N)C[C@@H]3c3cc(F)ccc3F)nc12

Basic Information

ChEMBL ID CHEMBL5859939
Phase Preclinical
Structure Type MOL
InChI Key GUHRRWWDOFQWKH-BDJLRTHQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
2.97
ALogP
6
HBA
0
HBD
81.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12F2N6
MW 350.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.67

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

Data from ChEMBL 36 via Core Engine