Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5613571

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1c(C)cc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613571
Phase Preclinical
Structure Type MOL
InChI Key ISCHZWHWIFFZLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
5.46
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F3N3OS
MW 393.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.45

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Mus musculus

Literature References

PubMed DOI Target Context # Activities
39042991 10.1016/j.ejmech.2024.116685 No relevant target 2
39042991 10.1016/j.ejmech.2024.116685 Transcriptional regulator MvfR 1
39042991 10.1016/j.ejmech.2024.116685 Pseudomonas aeruginosa 1
39042991 10.1016/j.ejmech.2024.116685 ADMET 1

Data from ChEMBL 36 via Core Engine