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Compound Detail

CHEMBL4517113

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C[C@@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)C[C@H](C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517113
Phase Preclinical
Structure Type MOL
InChI Key QMOHUHBUTOEOBW-NMWPEEMBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
3.37
ALogP
8
HBA
1
HBD
89.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29F3N6O2
MW 466.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.89

Literature References

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

Data from ChEMBL 36 via Core Engine