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Compound Detail

CHEMBL3764689

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Nc1nc(-c2ccccn2)nn1-c1ncnc2cc(OC(F)(F)F)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764689
Phase Preclinical
Structure Type MOL
InChI Key RQARRAKSVNUQTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

373.3
MW (Da)
2.75
ALogP
8
HBA
1
HBD
104.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F3N7O
MW 373.30
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
26632965 10.1021/acs.jmedchem.5b01092 BJ 1
26632965 10.1021/acs.jmedchem.5b01092 No relevant target 1
26632965 10.1021/acs.jmedchem.5b01092 Serine-protein kinase ATM 1

Data from ChEMBL 36 via Core Engine