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Compound Detail

CHEMBL6065722

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CC1Oc2ccn3ncc(c3n2)C(=O)NCCOc2ccc(F)c(Cl)c21

Basic Information

ChEMBL ID CHEMBL6065722
Phase Preclinical
Structure Type MOL
InChI Key YMRTYJKGNCAGKP-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.8
MW (Da)
2.78
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClFN4O3
MW 376.77
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.71

Activity Summary

Kd 4 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
Kd 5.72 5.72 1900.0 2
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
Kd 5.72 5.72 1900.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine