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Compound Detail

CHEMBL5090565

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Cc1n[nH]c(C)c1N1CC2(CN(c3cc(C(=O)O)ccc3F)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5090565
Phase Preclinical
Structure Type MOL
InChI Key PAMLQDLVESYRKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.19
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.90
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 C17H19FN4O2
MW 330.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.17

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