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

CHEMBL1180772

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
CCCCCCCCCCCCCCOc1ccc(NC(=O)c2cccc(C[n+]3csc(C)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180772
Phase Preclinical
Structure Type MOL
InChI Key JKCWGCZSMPGEOS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

521.8
MW (Da)
8.72
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H45N2O2S+
MW 521.79
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine