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Compound Detail

CHEMBL5427687

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CCOCCOc1ccc(-c2ncc[nH]2)cc1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5427687
Phase Preclinical
Structure Type MOL
InChI Key QPVVELMJQSDHGZ-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
5.16
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22F3N3O3
MW 445.44
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
36634454 10.1016/j.ejmech.2023.115094 Transitional endoplasmic reticulum ATPase 1
36634454 10.1016/j.ejmech.2023.115094 U-87 MG 1

Data from ChEMBL 36 via Core Engine