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Compound Detail

CHEMBL5076489

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O=C(O)c1ccc(F)c(N2CCN(c3nn[nH]n3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5076489
Phase Preclinical
Structure Type MOL
InChI Key LRNOWIIAHONTHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
0.36
ALogP
6
HBA
2
HBD
98.2
PSA (Ų)
0.84
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 C12H13FN6O2
MW 292.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
34138572 10.1021/acs.jmedchem.1c00099 Transthyretin 1
34138572 10.1021/acs.jmedchem.1c00099 Retinol-binding protein 4 1

Data from ChEMBL 36 via Core Engine