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Compound Detail

CHEMBL6052214

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CC1Nc2ccn3ncc(c3n2)C(=O)NCCOc2ccc(F)c(Cl)c21

Basic Information

ChEMBL ID CHEMBL6052214
Phase Preclinical
Structure Type MOL
InChI Key PBBXBBSBAJKYLC-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.8
MW (Da)
2.82
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClFN5O2
MW 375.79
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.69

Activity Summary

Kd 6 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
Kd 8.19 8.19 6.5 2
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
Kd 7.21 7.21 62.0 2
ALK tyrosine kinase receptor
CHEMBL4247
Kd 6.57 6.57 270.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine