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Compound Detail

CHEMBL5807109

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Cc1cc(NC(=O)c2c(Br)n(C3(C)CC3)c3ncnc(N)c23)[nH]n1

Basic Information

ChEMBL ID CHEMBL5807109
Phase Preclinical
Structure Type MOL
InChI Key FKJAXJPJXDGQKQ-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.2
MW (Da)
2.57
ALogP
6
HBA
3
HBD
114.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16BrN7O
MW 390.25
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.05

Activity Summary

IC50 4 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
IC50 9.85 9.85 0.1 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine