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Compound Detail

CHEMBL4450205

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C[C@@H]1CN(c2nc(N3C[C@@H](C)O[C@@H](C)C3)c3ccc(-c4cnc(N)cc4C(F)(F)F)cc3n2)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450205
Phase Preclinical
Structure Type MOL
InChI Key HARSVIWMDCWSQT-WNKDZCFJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
4.52
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31F3N6O2
MW 516.57
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
27427973 10.1021/acs.jmedchem.6b00235 Unchecked 1

Data from ChEMBL 36 via Core Engine