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Compound Detail

CHEMBL5909127

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CC(C)(C)n1nc(C(=O)Nc2cc(Br)[nH]n2)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL5909127
Phase Preclinical
Structure Type MOL
InChI Key CTQPCXKNLLYXHU-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
1.90
ALogP
7
HBA
3
HBD
127.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15BrN8O
MW 379.22
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.35

Activity Summary

IC50 4 meas. best 9.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
IC50 9.82 9.82 0.1 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine