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Compound Detail

CHEMBL5407018

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O=C(O)c1ccnc(C(=O)O)c1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407018
Phase Preclinical
Structure Type MOL
InChI Key XHNJOQIOEXMKNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

235.1
MW (Da)
1.50
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H4F3NO4
MW 235.12
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
37527664 10.1021/acs.jmedchem.3c01114 Bifunctional peptidase and arginyl-hydroxylase JMJD5 1
37527664 10.1021/acs.jmedchem.3c01114 Lysine-specific demethylase 4E 1
37527664 10.1021/acs.jmedchem.3c01114 Aspartyl/asparaginyl beta-hydroxylase 1

Data from ChEMBL 36 via Core Engine