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Compound Detail

CHEMBL4870972

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CC1(C)C(=O)c2cc3nccc(Nc4n[nH]c5ccc(F)cc45)c3cc2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4870972
Phase Preclinical
Structure Type MOL
InChI Key JFRXBSXIUPYETQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
3.74
ALogP
6
HBA
2
HBD
104.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15FN4O3S
MW 410.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
33730678 10.1016/j.ejmech.2021.113327 HT-29 1

Data from ChEMBL 36 via Core Engine