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Compound Detail

CHEMBL5075122

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CC#CC(=O)N(c1ccc(F)cc1)C(C(=O)NC1CCCCC1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075122
Phase Preclinical
Structure Type MOL
InChI Key CDJXWLQKCWBGCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
3.77
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24FN3O2
MW 393.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
34995923 10.1016/j.ejmech.2021.114046 Unchecked 2

Data from ChEMBL 36 via Core Engine