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Compound Detail

CHEMBL5837715

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CCc1cc(NC(=O)c2nn(C3CCCC3)c3ncnc(N)c23)n[nH]1

Basic Information

ChEMBL ID CHEMBL5837715
Phase Preclinical
Structure Type MOL
InChI Key NOSYRANHANIXIL-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.06
ALogP
7
HBA
3
HBD
127.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N8O
MW 340.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.40

Activity Summary

IC50 4 meas. best 8.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
IC50 8.71 8.71 1.9 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine