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

CHEMBL4300095

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
CCc1ccc2c(c1)S/C(=c1/s/c(=C\c3scc[n+]3Cc3ccc(C(F)(F)F)o3)n(CC)c1=O)N2C

Basic Information

ChEMBL ID CHEMBL4300095
Phase Preclinical
Structure Type MOL
InChI Key OSUKCKWOBQJGTP-ZNTNEXAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
4.64
ALogP
7
HBA
0
HBD
42.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F3N3O2S3+
MW 550.67
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine